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

C11H18N2O2S — CID 103933370

IUPACN-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC(C)(C)C(C)(C)O)cs1
InChIInChI=1S/C11H18N2O2S/c1-7-12-8(6-16-7)9(14)13-10(2,3)11(4,5)15/h6,15H,1-5H3,(H,13,14)
InChIKeyLHRKFOAGVNCCPF-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.73
Rot. Bonds3

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

N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 103933370) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID103933370
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC(C)(C)C(C)(C)O)cs1
InChIInChI=1S/C11H18N2O2S/c1-7-12-8(6-16-7)9(14)13-10(2,3)11(4,5)15/h6,15H,1-5H3,(H,13,14)
InChIKeyLHRKFOAGVNCCPF-UHFFFAOYSA-N
XLogP1.73
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-1,3-thiazole-4-carboxamide;methanol
CID 90101890
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N-(2-hydroxy-2-methylbutyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198788
N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
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2,2-difluoro-1-(2-methyl-1,3-thiazol-4-yl)propan-1-one
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methyl 2-methyl-1,3-thiazole-4-carboxylate
CID 14812829
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methylthiophene-2-carboxamide
CID 103895410
N-(2-bromoethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198942
[(2-methyl-1,3-thiazole-4-carbonyl)amino]thiourea
CID 65214512
2-methyl-2-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]propanoic acid
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N-(1-bromo-4,4-dimethylpentan-3-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 106356098
methyl 3-(2-methyl-1,3-thiazol-4-yl)-3-oxopropanoate
CID 82658265

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide (CID 103933370) is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NC(C)(C)C(C)(C)O)cs1.
What is the InChIKey of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is LHRKFOAGVNCCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-7-12-8(6-16-7)9(14)13-10(2,3)11(4,5)15/h6,15H,1-5H3,(H,13,14).
What are the key properties of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide?
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 242.34 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 103933370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).