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N-{4-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl}acetamide

N-{4-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl}acetamide

CAS: 499795-81-2

Formula: C16H13ClN4OS

SMILES: CC(=O)NC1=NC=CC(=N1)C1=C(C)N=C(S1)C1=CC=C(Cl)C=C1

IUPAC: N-{4-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl}acetamide

InChI: InChI=1S/C16H13ClN4OS/c1-9-14(13-7-8-18-16(21-13)20-10(2)22)23-15(19-9)11-3-5-12(17)6-4-11/h3-8H,1-2H3,(H,18,20,21,22)

Composition: C (55.73%), H (3.80%), Cl (10.28%), N (16.25%), O (4.64%), S (9.30%)

Molar Mass: 344.82

Atom Count: 36

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 344.0498599
Formal Charge 0
FSP3 0.12
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey UUUASOSWRQBVMG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 101.79
Topological Polar Surface Area 67.77
Polarizability 36.07
Ring Count 3
Rotatable Bond Count 3

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90% <2 Days 499795-81-2 $51.35-$86.31$51.35$63.37$86.31
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