4-butyl-N-(1H-imidazol-2-yl)-2-methyl-1,3-thiazole-5-carboxamide

C12H16N4OS — CID 71702140

IUPAC4-butyl-N-(1H-imidazol-2-yl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCCCCc1nc(C)sc1C(=O)Nc1ncc[nH]1
InChIInChI=1S/C12H16N4OS/c1-3-4-5-9-10(18-8(2)15-9)11(17)16-12-13-6-7-14-12/h6-7H,3-5H2,1-2H3,(H2,13,14,16,17)
InChIKeyLGKQGTMHTJSMGU-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.77
Rot. Bonds5

About 4-butyl-N-(1H-imidazol-2-yl)-2-methyl-1,3-thiazole-5-carboxamide

4-butyl-N-(1H-imidazol-2-yl)-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 71702140) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-butyl-N-(1H-imidazol-2-yl)-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-butyl-N-(1H-imidazol-2-yl)-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID71702140
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name4-butyl-N-(1H-imidazol-2-yl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCCCCc1nc(C)sc1C(=O)Nc1ncc[nH]1
InChIInChI=1S/C12H16N4OS/c1-3-4-5-9-10(18-8(2)15-9)11(17)16-12-13-6-7-14-12/h6-7H,3-5H2,1-2H3,(H2,13,14,16,17)
InChIKeyLGKQGTMHTJSMGU-UHFFFAOYSA-N
XLogP2.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-butyl-N-(1H-imidazol-2-yl)-2-methyl-1,3-thiazole-5-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 4-butyl-N-(1H-imidazol-2-yl)-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-butyl-N-(1H-imidazol-2-yl)-2-methyl-1,3-thiazole-5-carboxamide (CID 71702140) is 4-butyl-N-(1H-imidazol-2-yl)-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-butyl-N-(1H-imidazol-2-yl)-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-butyl-N-(1H-imidazol-2-yl)-2-methyl-1,3-thiazole-5-carboxamide is CCCCc1nc(C)sc1C(=O)Nc1ncc[nH]1.
What is the InChIKey of 4-butyl-N-(1H-imidazol-2-yl)-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is LGKQGTMHTJSMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-3-4-5-9-10(18-8(2)15-9)11(17)16-12-13-6-7-14-12/h6-7H,3-5H2,1-2H3,(H2,13,14,16,17).
What are the key properties of 4-butyl-N-(1H-imidazol-2-yl)-2-methyl-1,3-thiazole-5-carboxamide?
4-butyl-N-(1H-imidazol-2-yl)-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(1H-imidazol-2-yl)-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71702140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).