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

C11H16N2O3S — CID 159632312

IUPAC4-ethyl-N-(3-hydroxy-3-methyl-2-oxobutyl)-1,3-thiazole-2-carboxamide
SMILESCCc1csc(C(=O)NCC(=O)C(C)(C)O)n1
InChIInChI=1S/C11H16N2O3S/c1-4-7-6-17-10(13-7)9(15)12-5-8(14)11(2,3)16/h6,16H,4-5H2,1-3H3,(H,12,15)
InChIKeyMPGYTPIOOAEACA-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.78
Rot. Bonds5

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

4-ethyl-N-(3-hydroxy-3-methyl-2-oxobutyl)-1,3-thiazole-2-carboxamide (PubChem CID 159632312) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-ethyl-N-(3-hydroxy-3-methyl-2-oxobutyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(3-hydroxy-3-methyl-2-oxobutyl)-1,3-thiazole-2-carboxamide
PubChem CID159632312
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name4-ethyl-N-(3-hydroxy-3-methyl-2-oxobutyl)-1,3-thiazole-2-carboxamide
SMILESCCc1csc(C(=O)NCC(=O)C(C)(C)O)n1
InChIInChI=1S/C11H16N2O3S/c1-4-7-6-17-10(13-7)9(15)12-5-8(14)11(2,3)16/h6,16H,4-5H2,1-3H3,(H,12,15)
InChIKeyMPGYTPIOOAEACA-UHFFFAOYSA-N
XLogP0.78
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-1,3-thiazole-2-carboxylic acid
CID 39235458
4-(cyclohexylmethyl)-N-(2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
CID 123429134
N-(2,6-dimethoxyphenyl)-4-ethyl-1,3-thiazole-2-carboxamide
CID 134542864
4-(chloromethyl)-N-methyl-1,3-thiazole-2-carboxamide
CID 69228277
2-[(4-ethyl-1,3-thiazol-2-yl)amino]acetic acid
CID 62960794
4-chloro-N-(2-chloroprop-2-enyl)-1,3-thiazole-2-carboxamide
CID 130653904
tert-butyl 2-[(2-hydroxy-2-methylpropyl)carbamoyl]-1,3-thiazole-4-carboxylate
CID 121303179
4-[(2-amino-2-methylpropyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 66229682
4-methyl-N-propyl-1,3-thiazole-2-carboxamide
CID 110696075
2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696716
4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazole-2-carbohydrazide
CID 63571833
ethyl (2S)-2-(4-ethyl-1,3-thiazol-2-yl)-2-hydroxypropanoate
CID 129388918

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-hydroxy-3-methyl-2-oxobutyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-ethyl-N-(3-hydroxy-3-methyl-2-oxobutyl)-1,3-thiazole-2-carboxamide (CID 159632312) is 4-ethyl-N-(3-hydroxy-3-methyl-2-oxobutyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-(3-hydroxy-3-methyl-2-oxobutyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-ethyl-N-(3-hydroxy-3-methyl-2-oxobutyl)-1,3-thiazole-2-carboxamide is CCc1csc(C(=O)NCC(=O)C(C)(C)O)n1.
What is the InChIKey of 4-ethyl-N-(3-hydroxy-3-methyl-2-oxobutyl)-1,3-thiazole-2-carboxamide?
The InChIKey is MPGYTPIOOAEACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-4-7-6-17-10(13-7)9(15)12-5-8(14)11(2,3)16/h6,16H,4-5H2,1-3H3,(H,12,15).
What are the key properties of 4-ethyl-N-(3-hydroxy-3-methyl-2-oxobutyl)-1,3-thiazole-2-carboxamide?
4-ethyl-N-(3-hydroxy-3-methyl-2-oxobutyl)-1,3-thiazole-2-carboxamide has a molecular weight of 256.33 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-hydroxy-3-methyl-2-oxobutyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 159632312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).