2,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide

C15H22N4OS — CID 42793534

IUPAC2,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(Cc2nccn2C)CC(C)C)s1
InChIInChI=1S/C15H22N4OS/c1-10(2)8-19(9-13-16-6-7-18(13)5)15(20)14-11(3)17-12(4)21-14/h6-7,10H,8-9H2,1-5H3
InChIKeyFYLAYLWBBCKLMO-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.79
Rot. Bonds5

About 2,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 42793534) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID42793534
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name2,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(Cc2nccn2C)CC(C)C)s1
InChIInChI=1S/C15H22N4OS/c1-10(2)8-19(9-13-16-6-7-18(13)5)15(20)14-11(3)17-12(4)21-14/h6-7,10H,8-9H2,1-5H3
InChIKeyFYLAYLWBBCKLMO-UHFFFAOYSA-N
XLogP2.79
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-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 2,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide (CID 42793534) is 2,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)N(Cc2nccn2C)CC(C)C)s1.
What is the InChIKey of 2,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is FYLAYLWBBCKLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-10(2)8-19(9-13-16-6-7-18(13)5)15(20)14-11(3)17-12(4)21-14/h6-7,10H,8-9H2,1-5H3.
What are the key properties of 2,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 306.44 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 42793534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).