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

C8H12N2O2S — CID 123883247

IUPACN-butyl-2-oxo-3H-1,3-thiazole-4-carboxamide
SMILESCCCCNC(=O)c1csc(=O)[nH]1
InChIInChI=1S/C8H12N2O2S/c1-2-3-4-9-7(11)6-5-13-8(12)10-6/h5H,2-4H2,1H3,(H,9,11)(H,10,12)
InChIKeyPGGKDIMFJJKRQM-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.97
Rot. Bonds4

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

N-butyl-2-oxo-3H-1,3-thiazole-4-carboxamide (PubChem CID 123883247) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is N-butyl-2-oxo-3H-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-oxo-3H-1,3-thiazole-4-carboxamide
PubChem CID123883247
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC NameN-butyl-2-oxo-3H-1,3-thiazole-4-carboxamide
SMILESCCCCNC(=O)c1csc(=O)[nH]1
InChIInChI=1S/C8H12N2O2S/c1-2-3-4-9-7(11)6-5-13-8(12)10-6/h5H,2-4H2,1H3,(H,9,11)(H,10,12)
InChIKeyPGGKDIMFJJKRQM-UHFFFAOYSA-N
XLogP0.97
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butyl-2-oxo-3H-1,3-thiazole-4-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-butyl-2-oxo-3H-1,3-thiazole-4-carboxamide?
The IUPAC name of N-butyl-2-oxo-3H-1,3-thiazole-4-carboxamide (CID 123883247) is N-butyl-2-oxo-3H-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-butyl-2-oxo-3H-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-butyl-2-oxo-3H-1,3-thiazole-4-carboxamide is CCCCNC(=O)c1csc(=O)[nH]1.
What is the InChIKey of N-butyl-2-oxo-3H-1,3-thiazole-4-carboxamide?
The InChIKey is PGGKDIMFJJKRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-2-3-4-9-7(11)6-5-13-8(12)10-6/h5H,2-4H2,1H3,(H,9,11)(H,10,12).
What are the key properties of N-butyl-2-oxo-3H-1,3-thiazole-4-carboxamide?
N-butyl-2-oxo-3H-1,3-thiazole-4-carboxamide has a molecular weight of 200.26 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-oxo-3H-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 123883247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).