N-[(2R)-1-hydroxybutan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide

C9H14N2O2S — CID 103920000

IUPACN-[(2R)-1-hydroxybutan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCC[C@H](CO)NC(=O)c1csc(C)n1
InChIInChI=1S/C9H14N2O2S/c1-3-7(4-12)11-9(13)8-5-14-6(2)10-8/h5,7,12H,3-4H2,1-2H3,(H,11,13)/t7-/m1/s1
InChIKeyLLWDQOBIRCFLLL-SSDOTTSWSA-N
MW214.29 g/mol
LogP0.95
Rot. Bonds4

About N-[(2R)-1-hydroxybutan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide

N-[(2R)-1-hydroxybutan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 103920000) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is N-[(2R)-1-hydroxybutan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxybutan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID103920000
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC NameN-[(2R)-1-hydroxybutan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCC[C@H](CO)NC(=O)c1csc(C)n1
InChIInChI=1S/C9H14N2O2S/c1-3-7(4-12)11-9(13)8-5-14-6(2)10-8/h5,7,12H,3-4H2,1-2H3,(H,11,13)/t7-/m1/s1
InChIKeyLLWDQOBIRCFLLL-SSDOTTSWSA-N
XLogP0.95
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[(2-methyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
CID 97328202
N-(4-hydroxybutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 81048571
ethyl (2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoate
CID 94211552
N-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 103750834
2-acetamido-N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 61247496
2-methyl-N-(1-pyridin-4-ylpropyl)-1,3-thiazole-4-carboxamide
CID 131909576
N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 43392707
N-(3-hydroxy-2-methylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198786
N-[(2S)-1-aminopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 131019261
N-(1-hydroxybutan-2-yl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465482
2-(1-hydroxybutan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 84761744
6-chloro-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 62239936

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide (CID 103920000) is N-[(2R)-1-hydroxybutan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxybutan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxybutan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide is CC[C@H](CO)NC(=O)c1csc(C)n1.
What is the InChIKey of N-[(2R)-1-hydroxybutan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is LLWDQOBIRCFLLL-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-3-7(4-12)11-9(13)8-5-14-6(2)10-8/h5,7,12H,3-4H2,1-2H3,(H,11,13)/t7-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxybutan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[(2R)-1-hydroxybutan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 214.29 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxybutan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 103920000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).