(2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide

C12H12N2OS — CID 97038201

IUPAC(2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide
SMILESC[C@H](C(=O)Nc1nccs1)c1ccccc1
InChIInChI=1S/C12H12N2OS/c1-9(10-5-3-2-4-6-10)11(15)14-12-13-7-8-16-12/h2-9H,1H3,(H,13,14,15)/t9-/m0/s1
InChIKeyRUWBQESMSKMVFE-VIFPVBQESA-N
MW232.31 g/mol
LogP2.89
Rot. Bonds3

About (2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide

(2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 97038201) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is (2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID97038201
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name(2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide
SMILESC[C@H](C(=O)Nc1nccs1)c1ccccc1
InChIInChI=1S/C12H12N2OS/c1-9(10-5-3-2-4-6-10)11(15)14-12-13-7-8-16-12/h2-9H,1H3,(H,13,14,15)/t9-/m0/s1
InChIKeyRUWBQESMSKMVFE-VIFPVBQESA-N
XLogP2.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 46226333
2-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2888884
2-(dimethylamino)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 47839437
(2R,3R)-3-methyl-2-phenyl-N-(1,3-thiazol-2-yl)pentanamide
CID 8762760
(2R)-2-(3-fluoro-4-phenylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 40961510
[(1S)-2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl] acetate
CID 763099
2-phenyl-2-pyrrol-1-yl-N-(1,3-thiazol-2-yl)acetamide
CID 52992847
2-phenoxy-N-(1,3-thiazol-2-yl)propanamide
CID 4279674
2-methyl-3-oxo-3-(1,3-thiazol-2-ylamino)propanoic acid;trifluoromethylbenzene
CID 88598154
(2S)-2-(methylamino)-N-(1,3-thiazol-2-yl)propanamide
CID 59361268
3-phenyl-2-sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 169288578
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 132899242

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide (CID 97038201) is (2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide is C[C@H](C(=O)Nc1nccs1)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is RUWBQESMSKMVFE-VIFPVBQESA-N. The full InChI is InChI=1S/C12H12N2OS/c1-9(10-5-3-2-4-6-10)11(15)14-12-13-7-8-16-12/h2-9H,1H3,(H,13,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide?
(2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 232.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 97038201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).