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2-{2-methylimidazo[2,1-b][1,3]thiazol-6-yl}-1-{2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl}ethanone

2-{2-methylimidazo[2,1-b][1,3]thiazol-6-yl}-1-{2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl}ethanone

CAS: 1334782-79-4

Formula: C29H32N6OS

SMILES: CC1=CN2C=C(CC(=O)N3CCC4(CN(C4)[C@@H]4CCC5=C4C=CC(=C5)C4=CC(C)=NC=N4)CC3)N=C2S1

IUPAC: 2-{2-methylimidazo[2,1-b][1,3]thiazol-6-yl}-1-{2-[(1R)-5-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonan-7-yl}ethan-1-one

InChI: InChI=1S/C29H32N6OS/c1-19-11-25(31-18-30-19)22-3-5-24-21(12-22)4-6-26(24)35-16-29(17-35)7-9-33(10-8-29)27(36)13-23-15-34-14-20(2)37-28(34)32-23/h3,5,11-12,14-15,18,26H,4,6-10,13,16-17H2,1-2H3/t26-/m1/s1

Composition: C (67.94%), H (6.29%), N (16.39%), O (3.12%), S (6.25%)

Molar Mass: 512.68

Atom Count: 69

Heavy Atom Count: 37

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 1
Exact Mass 512.235830848
Formal Charge 0
FSP3 0.45
Hetero Ring Count 5
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey ZIUDADZJCKGWKR-AREMUKBSSA-N
Lipinski's Rule of Five
Molar Refractivity 157.51
Topological Polar Surface Area 66.63
Polarizability 56.81
Ring Count 7
Rotatable Bond Count 4

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