N-[(1R)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide

C20H19N3O2S — CID 2113874

IUPACN-[(1R)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide
SMILESCc1csc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C20H19N3O2S/c1-14-13-26-20(21-14)23-18(24)12-17(15-8-4-2-5-9-15)22-19(25)16-10-6-3-7-11-16/h2-11,13,17H,12H2,1H3,(H,22,25)(H,21,23,24)/t17-/m1/s1
InChIKeySWVKWZTWISLPIA-QGZVFWFLSA-N
MW365.46 g/mol
LogP3.95
Rot. Bonds6

About N-[(1R)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide

N-[(1R)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 2113874) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[(1R)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide
PubChem CID2113874
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN-[(1R)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide
SMILESCc1csc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C20H19N3O2S/c1-14-13-26-20(21-14)23-18(24)12-17(15-8-4-2-5-9-15)22-19(25)16-10-6-3-7-11-16/h2-11,13,17H,12H2,1H3,(H,22,25)(H,21,23,24)/t17-/m1/s1
InChIKeySWVKWZTWISLPIA-QGZVFWFLSA-N
XLogP3.95
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 58965385
N-[3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 4857714
N-[(1S)-3-(2,6-dimethylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 51870095
N-[(1S)-3-(1,3-benzothiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide
CID 8881883
N-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7899822
N-[(1R)-3-(2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7946567
N-[(1R)-3-oxo-1-phenyl-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide
CID 1341172
N-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 55435292
N-[3-[2,6-di(propan-2-yl)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 42993313
N-[3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide
CID 134014968
4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide
CID 55333107
N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 16575195

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[(1R)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide (CID 2113874) is N-[(1R)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[(1R)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[(1R)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide is Cc1csc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)n1.
What is the InChIKey of N-[(1R)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is SWVKWZTWISLPIA-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-14-13-26-20(21-14)23-18(24)12-17(15-8-4-2-5-9-15)22-19(25)16-10-6-3-7-11-16/h2-11,13,17H,12H2,1H3,(H,22,25)(H,21,23,24)/t17-/m1/s1.
What are the key properties of N-[(1R)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide?
N-[(1R)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 365.46 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 2113874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).