2-methyl-3H-1,2-thiazole-5-carboxamide

C5H8N2OS — CID 67500411

IUPAC2-methyl-3H-1,2-thiazole-5-carboxamide
SMILESCN1CC=C(C(N)=O)S1
InChIInChI=1S/C5H8N2OS/c1-7-3-2-4(9-7)5(6)8/h2H,3H2,1H3,(H2,6,8)
InChIKeyHBLXJKIFEUWZIZ-UHFFFAOYSA-N
MW144.20 g/mol
LogP-0.05
Rot. Bonds1

About 2-methyl-3H-1,2-thiazole-5-carboxamide

2-methyl-3H-1,2-thiazole-5-carboxamide (PubChem CID 67500411) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is 2-methyl-3H-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-3H-1,2-thiazole-5-carboxamide
PubChem CID67500411
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC Name2-methyl-3H-1,2-thiazole-5-carboxamide
SMILESCN1CC=C(C(N)=O)S1
InChIInChI=1S/C5H8N2OS/c1-7-3-2-4(9-7)5(6)8/h2H,3H2,1H3,(H2,6,8)
InChIKeyHBLXJKIFEUWZIZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3H-1,2-thiazole-5-carboxamide?
The IUPAC name of 2-methyl-3H-1,2-thiazole-5-carboxamide (CID 67500411) is 2-methyl-3H-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 2-methyl-3H-1,2-thiazole-5-carboxamide?
The canonical SMILES for 2-methyl-3H-1,2-thiazole-5-carboxamide is CN1CC=C(C(N)=O)S1.
What is the InChIKey of 2-methyl-3H-1,2-thiazole-5-carboxamide?
The InChIKey is HBLXJKIFEUWZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c1-7-3-2-4(9-7)5(6)8/h2H,3H2,1H3,(H2,6,8).
What are the key properties of 2-methyl-3H-1,2-thiazole-5-carboxamide?
2-methyl-3H-1,2-thiazole-5-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 2-methyl-3H-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 67500411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).