N-(1-hydroxybutan-2-yl)-2,5-dimethyl-1,3-thiazole-4-carboxamide

C10H16N2O2S — CID 110465482

IUPACN-(1-hydroxybutan-2-yl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
SMILESCCC(CO)NC(=O)c1nc(C)sc1C
InChIInChI=1S/C10H16N2O2S/c1-4-8(5-13)12-10(14)9-6(2)15-7(3)11-9/h8,13H,4-5H2,1-3H3,(H,12,14)
InChIKeyDGABVVJLDOMLGW-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.26
Rot. Bonds4

About N-(1-hydroxybutan-2-yl)-2,5-dimethyl-1,3-thiazole-4-carboxamide

N-(1-hydroxybutan-2-yl)-2,5-dimethyl-1,3-thiazole-4-carboxamide (PubChem CID 110465482) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-2,5-dimethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
PubChem CID110465482
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC NameN-(1-hydroxybutan-2-yl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
SMILESCCC(CO)NC(=O)c1nc(C)sc1C
InChIInChI=1S/C10H16N2O2S/c1-4-8(5-13)12-10(14)9-6(2)15-7(3)11-9/h8,13H,4-5H2,1-3H3,(H,12,14)
InChIKeyDGABVVJLDOMLGW-UHFFFAOYSA-N
XLogP1.26
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 103920000
2,5-dimethyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 110465467
(2R)-2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 110835406
2-(furan-2-yl)-N-(1-hydroxypentan-3-yl)-5-methyl-1,3-thiazole-4-carboxamide
CID 115735226
N-[(2S)-1-hydroxybutan-2-yl]-3-methylpyridine-2-carboxamide
CID 104981219
2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-3-phenylpropanoic acid
CID 120512144
3-hydroxy-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 60923596
N-(1-hydroxybutan-2-yl)-1,3-benzothiazole-2-carboxamide
CID 110488503
3,4,5-trichloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-2-carboxamide
CID 93041499
N-[(2R)-1-hydroxybutan-2-yl]-1,3-thiazole-5-carboxamide
CID 103920352
5-bromo-N-[(2S)-1-hydroxybutan-2-yl]thiophene-2-carboxamide
CID 104981493
N-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465518

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-2,5-dimethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-2,5-dimethyl-1,3-thiazole-4-carboxamide (CID 110465482) is N-(1-hydroxybutan-2-yl)-2,5-dimethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-2,5-dimethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-2,5-dimethyl-1,3-thiazole-4-carboxamide is CCC(CO)NC(=O)c1nc(C)sc1C.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-2,5-dimethyl-1,3-thiazole-4-carboxamide?
The InChIKey is DGABVVJLDOMLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-4-8(5-13)12-10(14)9-6(2)15-7(3)11-9/h8,13H,4-5H2,1-3H3,(H,12,14).
What are the key properties of N-(1-hydroxybutan-2-yl)-2,5-dimethyl-1,3-thiazole-4-carboxamide?
N-(1-hydroxybutan-2-yl)-2,5-dimethyl-1,3-thiazole-4-carboxamide has a molecular weight of 228.32 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-2,5-dimethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110465482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).