N-[(2S)-2-hydroxybutyl]-5-methyl-1,2-thiazole-3-carboxamide

C9H14N2O2S — CID 164639872

IUPACN-[(2S)-2-hydroxybutyl]-5-methyl-1,2-thiazole-3-carboxamide
SMILESCC[C@H](O)CNC(=O)c1cc(C)sn1
InChIInChI=1S/C9H14N2O2S/c1-3-7(12)5-10-9(13)8-4-6(2)14-11-8/h4,7,12H,3,5H2,1-2H3,(H,10,13)/t7-/m0/s1
InChIKeyVIUDXPYKJRESGO-ZETCQYMHSA-N
MW214.29 g/mol
LogP0.95
Rot. Bonds4

About N-[(2S)-2-hydroxybutyl]-5-methyl-1,2-thiazole-3-carboxamide

N-[(2S)-2-hydroxybutyl]-5-methyl-1,2-thiazole-3-carboxamide (PubChem CID 164639872) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is N-[(2S)-2-hydroxybutyl]-5-methyl-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxybutyl]-5-methyl-1,2-thiazole-3-carboxamide
PubChem CID164639872
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC NameN-[(2S)-2-hydroxybutyl]-5-methyl-1,2-thiazole-3-carboxamide
SMILESCC[C@H](O)CNC(=O)c1cc(C)sn1
InChIInChI=1S/C9H14N2O2S/c1-3-7(12)5-10-9(13)8-4-6(2)14-11-8/h4,7,12H,3,5H2,1-2H3,(H,10,13)/t7-/m0/s1
InChIKeyVIUDXPYKJRESGO-ZETCQYMHSA-N
XLogP0.95
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-2-hydroxybutyl]-5-methyl-1,2-thiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxybutyl]-5-methyl-1,2-thiazole-3-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxybutyl]-5-methyl-1,2-thiazole-3-carboxamide (CID 164639872) is N-[(2S)-2-hydroxybutyl]-5-methyl-1,2-thiazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxybutyl]-5-methyl-1,2-thiazole-3-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxybutyl]-5-methyl-1,2-thiazole-3-carboxamide is CC[C@H](O)CNC(=O)c1cc(C)sn1.
What is the InChIKey of N-[(2S)-2-hydroxybutyl]-5-methyl-1,2-thiazole-3-carboxamide?
The InChIKey is VIUDXPYKJRESGO-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-3-7(12)5-10-9(13)8-4-6(2)14-11-8/h4,7,12H,3,5H2,1-2H3,(H,10,13)/t7-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxybutyl]-5-methyl-1,2-thiazole-3-carboxamide?
N-[(2S)-2-hydroxybutyl]-5-methyl-1,2-thiazole-3-carboxamide has a molecular weight of 214.29 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxybutyl]-5-methyl-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 164639872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).