(2R)-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]-2-phenylbutanamide

C16H19N3O2S — CID 92883121

IUPAC(2R)-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)NCC(=O)NCc1cscn1)c1ccccc1
InChIInChI=1S/C16H19N3O2S/c1-2-14(12-6-4-3-5-7-12)16(21)18-9-15(20)17-8-13-10-22-11-19-13/h3-7,10-11,14H,2,8-9H2,1H3,(H,17,20)(H,18,21)/t14-/m1/s1
InChIKeyQQCNTYQCNUHWBD-CQSZACIVSA-N
MW317.41 g/mol
LogP2.07
Rot. Bonds7

About (2R)-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]-2-phenylbutanamide

(2R)-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]-2-phenylbutanamide (PubChem CID 92883121) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is (2R)-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]-2-phenylbutanamide
PubChem CID92883121
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name(2R)-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)NCC(=O)NCc1cscn1)c1ccccc1
InChIInChI=1S/C16H19N3O2S/c1-2-14(12-6-4-3-5-7-12)16(21)18-9-15(20)17-8-13-10-22-11-19-13/h3-7,10-11,14H,2,8-9H2,1H3,(H,17,20)(H,18,21)/t14-/m1/s1
InChIKeyQQCNTYQCNUHWBD-CQSZACIVSA-N
XLogP2.07
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]-2-phenylbutanamide 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-amino-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 63824817
2-chloro-2-phenyl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 63831536
2-(2-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 49346575
3-phenyl-3-(1,3-thiazol-4-ylmethylcarbamoylamino)propanoic acid
CID 63825576
2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62185365
2-phenyl-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 110410528
N-(2-bromoethyl)-2-phenylbutanamide
CID 4632577
4-fluoro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide
CID 46388447
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 111454997
1-butan-2-yl-3-(1,3-thiazol-4-ylmethyl)urea
CID 49483238
3-(ethylamino)-N-(1,3-thiazol-4-ylmethyl)butanamide
CID 63824458
2-phenyl-N-(piperidin-1-ylmethyl)butanamide
CID 117066964

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]-2-phenylbutanamide (CID 92883121) is (2R)-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]-2-phenylbutanamide is CC[C@@H](C(=O)NCC(=O)NCc1cscn1)c1ccccc1.
What is the InChIKey of (2R)-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]-2-phenylbutanamide?
The InChIKey is QQCNTYQCNUHWBD-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-2-14(12-6-4-3-5-7-12)16(21)18-9-15(20)17-8-13-10-22-11-19-13/h3-7,10-11,14H,2,8-9H2,1H3,(H,17,20)(H,18,21)/t14-/m1/s1.
What are the key properties of (2R)-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]-2-phenylbutanamide?
(2R)-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]-2-phenylbutanamide has a molecular weight of 317.41 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]-2-phenylbutanamide is sourced from PubChem (CID 92883121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).