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

C9H14N2O2S — CID 81048571

IUPACN-(4-hydroxybutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC(C)CCO)cs1
InChIInChI=1S/C9H14N2O2S/c1-6(3-4-12)10-9(13)8-5-14-7(2)11-8/h5-6,12H,3-4H2,1-2H3,(H,10,13)
InChIKeyNFEWCJLLQJLZMQ-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.95
Rot. Bonds4

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

N-(4-hydroxybutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 81048571) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID81048571
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC NameN-(4-hydroxybutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC(C)CCO)cs1
InChIInChI=1S/C9H14N2O2S/c1-6(3-4-12)10-9(13)8-5-14-7(2)11-8/h5-6,12H,3-4H2,1-2H3,(H,10,13)
InChIKeyNFEWCJLLQJLZMQ-UHFFFAOYSA-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

N-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 103750834
N-[(2S)-1-aminopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 131019261
N-[(2R)-1-hydroxybutan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 103920000
N-(3-hydroxy-2-methylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198786
ethyl (2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoate
CID 94211552
N-(4-hydroxybutan-2-yl)-1,3-thiazole-4-carboxamide
CID 81042781
4-methyl-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 65199945
2-methyl-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 95148304
2-amino-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 62786815
N-[(2S)-1-hydroxypropan-2-yl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 130708869
(3S)-3-[(2-methyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
CID 97328202
(2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pentanedioic acid
CID 65199559

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide (CID 81048571) is N-(4-hydroxybutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NC(C)CCO)cs1.
What is the InChIKey of N-(4-hydroxybutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is NFEWCJLLQJLZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-6(3-4-12)10-9(13)8-5-14-7(2)11-8/h5-6,12H,3-4H2,1-2H3,(H,10,13).
What are the key properties of N-(4-hydroxybutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide?
N-(4-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-(4-hydroxybutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 81048571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).