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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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).