N-methyl-2-oxo-3H-1,3-thiazole-4-carboxamide

C5H6N2O2S — CID 123193062

IUPACN-methyl-2-oxo-3H-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1csc(=O)[nH]1
InChIInChI=1S/C5H6N2O2S/c1-6-4(8)3-2-10-5(9)7-3/h2H,1H3,(H,6,8)(H,7,9)
InChIKeyJGNFYXRIKACWHI-UHFFFAOYSA-N
MW158.18 g/mol
LogP-0.20
Rot. Bonds1

About N-methyl-2-oxo-3H-1,3-thiazole-4-carboxamide

N-methyl-2-oxo-3H-1,3-thiazole-4-carboxamide (PubChem CID 123193062) has the molecular formula C5H6N2O2S and a molecular weight of 158.18 g/mol. Its IUPAC name is N-methyl-2-oxo-3H-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-3H-1,3-thiazole-4-carboxamide
PubChem CID123193062
Molecular FormulaC5H6N2O2S
Molecular Weight158.18 g/mol
Exact Mass158.01
IUPAC NameN-methyl-2-oxo-3H-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1csc(=O)[nH]1
InChIInChI=1S/C5H6N2O2S/c1-6-4(8)3-2-10-5(9)7-3/h2H,1H3,(H,6,8)(H,7,9)
InChIKeyJGNFYXRIKACWHI-UHFFFAOYSA-N
XLogP-0.20
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-3H-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-2-oxo-3H-1,3-thiazole-4-carboxamide (CID 123193062) is N-methyl-2-oxo-3H-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-3H-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-2-oxo-3H-1,3-thiazole-4-carboxamide is CNC(=O)c1csc(=O)[nH]1.
What is the InChIKey of N-methyl-2-oxo-3H-1,3-thiazole-4-carboxamide?
The InChIKey is JGNFYXRIKACWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S/c1-6-4(8)3-2-10-5(9)7-3/h2H,1H3,(H,6,8)(H,7,9).
What are the key properties of N-methyl-2-oxo-3H-1,3-thiazole-4-carboxamide?
N-methyl-2-oxo-3H-1,3-thiazole-4-carboxamide has a molecular weight of 158.18 g/mol, XLogP of -0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-3H-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 123193062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).