2-acetamido-N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazole-4-carboxamide

C14H15N3O3S — CID 103772744

IUPAC2-acetamido-N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)N[C@@H](CO)c2ccccc2)cs1
InChIInChI=1S/C14H15N3O3S/c1-9(19)15-14-17-12(8-21-14)13(20)16-11(7-18)10-5-3-2-4-6-10/h2-6,8,11,18H,7H2,1H3,(H,16,20)(H,15,17,19)/t11-/m0/s1
InChIKeyHXHTZOZXFZYULA-NSHDSACASA-N
MW305.36 g/mol
LogP1.56
Rot. Bonds5

About 2-acetamido-N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazole-4-carboxamide

2-acetamido-N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazole-4-carboxamide (PubChem CID 103772744) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-acetamido-N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazole-4-carboxamide
PubChem CID103772744
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-acetamido-N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)N[C@@H](CO)c2ccccc2)cs1
InChIInChI=1S/C14H15N3O3S/c1-9(19)15-14-17-12(8-21-14)13(20)16-11(7-18)10-5-3-2-4-6-10/h2-6,8,11,18H,7H2,1H3,(H,16,20)(H,15,17,19)/t11-/m0/s1
InChIKeyHXHTZOZXFZYULA-NSHDSACASA-N
XLogP1.56
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyanilino)-1,3-thiazole-4-carboxamide
CID 166203011
2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 43170831
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 110004592
2-acetamido-N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 61247496
2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-hydroxybutanoic acid
CID 61243283
N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide
CID 63184440
2-(3-methylbutanoylamino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 46113593
N-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 55435292
6-chloro-N-(2-hydroxy-1-phenylethyl)pyridine-2-carboxamide
CID 55160768
(2S)-2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-amino-4-oxobutanoic acid
CID 63715392
5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]furan-2-carboxamide
CID 59362159
2-acetamido-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazole-4-carboxamide
CID 39900328

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazole-4-carboxamide (CID 103772744) is 2-acetamido-N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazole-4-carboxamide is CC(=O)Nc1nc(C(=O)N[C@@H](CO)c2ccccc2)cs1.
What is the InChIKey of 2-acetamido-N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HXHTZOZXFZYULA-NSHDSACASA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-9(19)15-14-17-12(8-21-14)13(20)16-11(7-18)10-5-3-2-4-6-10/h2-6,8,11,18H,7H2,1H3,(H,16,20)(H,15,17,19)/t11-/m0/s1.
What are the key properties of 2-acetamido-N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazole-4-carboxamide?
2-acetamido-N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 103772744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).