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

C10H16N2O2S — CID 65198788

IUPACN-(2-hydroxy-2-methylbutyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCCC(C)(O)CNC(=O)c1csc(C)n1
InChIInChI=1S/C10H16N2O2S/c1-4-10(3,14)6-11-9(13)8-5-15-7(2)12-8/h5,14H,4,6H2,1-3H3,(H,11,13)
InChIKeyNPGKENILPVTEHR-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.34
Rot. Bonds4

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

N-(2-hydroxy-2-methylbutyl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 65198788) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID65198788
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC NameN-(2-hydroxy-2-methylbutyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCCC(C)(O)CNC(=O)c1csc(C)n1
InChIInChI=1S/C10H16N2O2S/c1-4-10(3,14)6-11-9(13)8-5-15-7(2)12-8/h5,14H,4,6H2,1-3H3,(H,11,13)
InChIKeyNPGKENILPVTEHR-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 50970588
N-(2-bromoethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198942
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 103933370
N-(3-hydroxy-2-methylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65198786
N-(2-hydroxy-2-methylbutyl)-2H-triazole-4-carboxamide
CID 79038825
2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1,3-thiazole-4-carboxamide
CID 103712589
N-[3-(aminomethyl)pentan-3-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 65198957
N-(2-hydroxy-2-methylbutyl)-4,5-dimethylthiophene-2-carboxamide
CID 65112566
N-(2-hydroxy-2-methylbutyl)quinoline-2-carboxamide
CID 65115019
N-[2-(dimethylamino)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 110647682
3-chloro-N-(2-hydroxy-2-methylbutyl)thiophene-2-carboxamide
CID 80642213
N-(3-hydroxypentyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 115703844

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-2-methyl-1,3-thiazole-4-carboxamide (CID 65198788) is N-(2-hydroxy-2-methylbutyl)-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-2-methyl-1,3-thiazole-4-carboxamide is CCC(C)(O)CNC(=O)c1csc(C)n1.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is NPGKENILPVTEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-4-10(3,14)6-11-9(13)8-5-15-7(2)12-8/h5,14H,4,6H2,1-3H3,(H,11,13).
What are the key properties of N-(2-hydroxy-2-methylbutyl)-2-methyl-1,3-thiazole-4-carboxamide?
N-(2-hydroxy-2-methylbutyl)-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 228.32 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 65198788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).