N-(2-hydroxy-1-phenylethyl)-3-methyl-1,2-thiazole-4-carboxamide

C13H14N2O2S — CID 110028233

IUPACN-(2-hydroxy-1-phenylethyl)-3-methyl-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)NC(CO)c1ccccc1
InChIInChI=1S/C13H14N2O2S/c1-9-11(8-18-15-9)13(17)14-12(7-16)10-5-3-2-4-6-10/h2-6,8,12,16H,7H2,1H3,(H,14,17)
InChIKeyYOKOLUJPYRJQOL-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.91
Rot. Bonds4

About N-(2-hydroxy-1-phenylethyl)-3-methyl-1,2-thiazole-4-carboxamide

N-(2-hydroxy-1-phenylethyl)-3-methyl-1,2-thiazole-4-carboxamide (PubChem CID 110028233) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-3-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-3-methyl-1,2-thiazole-4-carboxamide
PubChem CID110028233
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-(2-hydroxy-1-phenylethyl)-3-methyl-1,2-thiazole-4-carboxamide
SMILESCc1nscc1C(=O)NC(CO)c1ccccc1
InChIInChI=1S/C13H14N2O2S/c1-9-11(8-18-15-9)13(17)14-12(7-16)10-5-3-2-4-6-10/h2-6,8,12,16H,7H2,1H3,(H,14,17)
InChIKeyYOKOLUJPYRJQOL-UHFFFAOYSA-N
XLogP1.91
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxy-1-phenylethyl)-3-methyl-1,2-thiazole-4-carboxamide 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

N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 103772742
N-[(1S)-2-hydroxy-1-phenylethyl]-3,6-dimethylpyridazine-4-carboxamide
CID 103878997
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbenzamide
CID 103945018
3-methyl-N-[(1S)-1-(4-phenylphenyl)ethyl]-1,2-thiazole-4-carboxamide
CID 97255775
N-(2-hydroxy-1-phenylethyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 110001315
N-(2-hydroxy-1-phenylethyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110001205
N-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 103945112
2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzamide
CID 103945214
3-[(3-methyl-1,2-thiazole-4-carbonyl)amino]butanoic acid
CID 120522717
3-methyl-N-[2-methyl-2-(1-phenylethylamino)propyl]-1,2-thiazole-4-carboxamide
CID 122159118
N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide
CID 63184440
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-3-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-3-methyl-1,2-thiazole-4-carboxamide (CID 110028233) is N-(2-hydroxy-1-phenylethyl)-3-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-3-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-3-methyl-1,2-thiazole-4-carboxamide is Cc1nscc1C(=O)NC(CO)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-3-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is YOKOLUJPYRJQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-9-11(8-18-15-9)13(17)14-12(7-16)10-5-3-2-4-6-10/h2-6,8,12,16H,7H2,1H3,(H,14,17).
What are the key properties of N-(2-hydroxy-1-phenylethyl)-3-methyl-1,2-thiazole-4-carboxamide?
N-(2-hydroxy-1-phenylethyl)-3-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 262.33 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)-3-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 110028233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).