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

C11H18N2O2S — CID 64555981

IUPACN-(1-hydroxy-2-methylbutan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCC(C)(CO)NC(=O)c1sc(C)nc1C
InChIInChI=1S/C11H18N2O2S/c1-5-11(4,6-14)13-10(15)9-7(2)12-8(3)16-9/h14H,5-6H2,1-4H3,(H,13,15)
InChIKeyYXNRLSBZNHGPGA-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.65
Rot. Bonds4

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

N-(1-hydroxy-2-methylbutan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 64555981) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylbutan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylbutan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID64555981
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-(1-hydroxy-2-methylbutan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCC(C)(CO)NC(=O)c1sc(C)nc1C
InChIInChI=1S/C11H18N2O2S/c1-5-11(4,6-14)13-10(15)9-7(2)12-8(3)16-9/h14H,5-6H2,1-4H3,(H,13,15)
InChIKeyYXNRLSBZNHGPGA-UHFFFAOYSA-N
XLogP1.65
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-3-methylpentan-3-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 110002203
N-(1-hydroxy-2-methylbutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 64555805
N-(2-amino-2-ethylbutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 113265867
N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 113265800
N-(1,1-diphenylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 56522837
N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzamide
CID 64557752
ethyl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]acetate
CID 47257222
N-[2-(4-bromophenyl)propan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 39615200
N-(1-hydroxy-2-methylbutan-2-yl)-4,5-dimethylthiophene-2-carboxamide
CID 64556214
N-(1-hydroxy-2-methylbutan-2-yl)-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 64556977
(2S)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 39315129
N-(1-hydroxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide
CID 64558339

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 64555981) is N-(1-hydroxy-2-methylbutan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylbutan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylbutan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is CCC(C)(CO)NC(=O)c1sc(C)nc1C.
What is the InChIKey of N-(1-hydroxy-2-methylbutan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is YXNRLSBZNHGPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-5-11(4,6-14)13-10(15)9-7(2)12-8(3)16-9/h14H,5-6H2,1-4H3,(H,13,15).
What are the key properties of N-(1-hydroxy-2-methylbutan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-(1-hydroxy-2-methylbutan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 242.34 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylbutan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 64555981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).