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N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide

N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide

CAS: 345627-80-7

Formula: C17H24N4O2S2

SMILES: CC(C)(C)C1=CN=C(CSC2=CN=C(NC(=O)C3CCNCC3)S2)O1

IUPAC: N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide

InChI: InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)

Composition: C (53.66%), H (6.36%), N (14.72%), O (8.41%), S (16.85%)

Molar Mass: 380.53

Atom Count: 49

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 380.134068377
Formal Charge 0
FSP3 0.59
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey OUSFTKFNBAZUKL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 101.29
Topological Polar Surface Area 80.05
Polarizability 38.97
Ring Count 3
Rotatable Bond Count 6

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