3-methyl-2H-1,3-thiazole-2-carboxamide

C5H8N2OS — CID 175766179

IUPAC3-methyl-2H-1,3-thiazole-2-carboxamide
SMILESCN1C=CSC1C(N)=O
InChIInChI=1S/C5H8N2OS/c1-7-2-3-9-5(7)4(6)8/h2-3,5H,1H3,(H2,6,8)
InChIKeySACAHXQSADPTET-UHFFFAOYSA-N
MW144.20 g/mol
LogP-0.05
Rot. Bonds1

About 3-methyl-2H-1,3-thiazole-2-carboxamide

3-methyl-2H-1,3-thiazole-2-carboxamide (PubChem CID 175766179) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is 3-methyl-2H-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-2H-1,3-thiazole-2-carboxamide
PubChem CID175766179
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC Name3-methyl-2H-1,3-thiazole-2-carboxamide
SMILESCN1C=CSC1C(N)=O
InChIInChI=1S/C5H8N2OS/c1-7-2-3-9-5(7)4(6)8/h2-3,5H,1H3,(H2,6,8)
InChIKeySACAHXQSADPTET-UHFFFAOYSA-N
XLogP-0.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2H-1,3-thiazole-2-carboxamide?
The IUPAC name of 3-methyl-2H-1,3-thiazole-2-carboxamide (CID 175766179) is 3-methyl-2H-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 3-methyl-2H-1,3-thiazole-2-carboxamide?
The canonical SMILES for 3-methyl-2H-1,3-thiazole-2-carboxamide is CN1C=CSC1C(N)=O.
What is the InChIKey of 3-methyl-2H-1,3-thiazole-2-carboxamide?
The InChIKey is SACAHXQSADPTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c1-7-2-3-9-5(7)4(6)8/h2-3,5H,1H3,(H2,6,8).
What are the key properties of 3-methyl-2H-1,3-thiazole-2-carboxamide?
3-methyl-2H-1,3-thiazole-2-carboxamide has a molecular weight of 144.20 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2H-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 175766179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).