(3R)-3-acetamido-3-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide

C19H18N4O2S — CID 2487621

IUPAC(3R)-3-acetamido-3-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(=O)N[C@H](CC(=O)Nc1nc(-c2ccccn2)cs1)c1ccccc1
InChIInChI=1S/C19H18N4O2S/c1-13(24)21-16(14-7-3-2-4-8-14)11-18(25)23-19-22-17(12-26-19)15-9-5-6-10-20-15/h2-10,12,16H,11H2,1H3,(H,21,24)(H,22,23,25)/t16-/m1/s1
InChIKeyFQKHINXJZUAWIT-MRXNPFEDSA-N
MW366.45 g/mol
LogP3.41
Rot. Bonds6

About (3R)-3-acetamido-3-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide

(3R)-3-acetamido-3-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 2487621) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is (3R)-3-acetamido-3-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(3R)-3-acetamido-3-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
PubChem CID2487621
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name(3R)-3-acetamido-3-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(=O)N[C@H](CC(=O)Nc1nc(-c2ccccn2)cs1)c1ccccc1
InChIInChI=1S/C19H18N4O2S/c1-13(24)21-16(14-7-3-2-4-8-14)11-18(25)23-19-22-17(12-26-19)15-9-5-6-10-20-15/h2-10,12,16H,11H2,1H3,(H,21,24)(H,22,23,25)/t16-/m1/s1
InChIKeyFQKHINXJZUAWIT-MRXNPFEDSA-N
XLogP3.41
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-3-acetamido-3-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-acetamido-3-(4-chlorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 55487003
(3S)-3-acetamido-3-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propanamide
CID 37012693
3-acetamido-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 24686062
3-acetamido-3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 55844424
(3R)-3-acetamido-N-(5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 9451642
N-[(1R)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 2113874
N-[3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 4857714
(3R)-3-acetamido-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 41228511
2-tert-butylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 4798895
3-phenoxy-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 4109767
4-(4-methylphenyl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide
CID 51154196
N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 4020241

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-3-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (3R)-3-acetamido-3-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide (CID 2487621) is (3R)-3-acetamido-3-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (3R)-3-acetamido-3-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (3R)-3-acetamido-3-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide is CC(=O)N[C@H](CC(=O)Nc1nc(-c2ccccn2)cs1)c1ccccc1.
What is the InChIKey of (3R)-3-acetamido-3-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is FQKHINXJZUAWIT-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-13(24)21-16(14-7-3-2-4-8-14)11-18(25)23-19-22-17(12-26-19)15-9-5-6-10-20-15/h2-10,12,16H,11H2,1H3,(H,21,24)(H,22,23,25)/t16-/m1/s1.
What are the key properties of (3R)-3-acetamido-3-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
(3R)-3-acetamido-3-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 366.45 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-3-phenyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 2487621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).