N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide

C14H16N2O2S — CID 102673756

IUPACN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C14H16N2O2S/c1-10-13(19-9-15-10)14(18)16-12(8-17)7-11-5-3-2-4-6-11/h2-6,9,12,17H,7-8H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyGWWHWLXIISTYOQ-LBPRGKRZSA-N
MW276.36 g/mol
LogP1.78
Rot. Bonds5

About N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 102673756) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID102673756
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N[C@H](CO)Cc1ccccc1
InChIInChI=1S/C14H16N2O2S/c1-10-13(19-9-15-10)14(18)16-12(8-17)7-11-5-3-2-4-6-11/h2-6,9,12,17H,7-8H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyGWWHWLXIISTYOQ-LBPRGKRZSA-N
XLogP1.78
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]-3-phenylpropanoic acid
CID 18072824
2-benzyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 119234033
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-6-methylpyridine-3-carboxamide
CID 102673588
N-(1-hydroxy-3-phenylpropan-2-yl)pyridine-2-carboxamide
CID 55169382
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methoxythiophene-2-carboxamide
CID 102673854
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-4-carboxamide
CID 107861142
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 107861204
5-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-3-carboxamide
CID 107861835
4-methyl-N-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide
CID 96550906
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
5-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]pyridine-2-carboxamide
CID 102673867

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 102673756) is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)N[C@H](CO)Cc1ccccc1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is GWWHWLXIISTYOQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10-13(19-9-15-10)14(18)16-12(8-17)7-11-5-3-2-4-6-11/h2-6,9,12,17H,7-8H2,1H3,(H,16,18)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 102673756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).