N-methyl-N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-thiazole-4-carboxamide

C21H20N4OS — CID 11574366

IUPACN-methyl-N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc3ccc(C)cn3c2CN(C)C(=O)c2cscn2)cc1
InChIInChI=1S/C21H20N4OS/c1-14-4-7-16(8-5-14)20-18(25-10-15(2)6-9-19(25)23-20)11-24(3)21(26)17-12-27-13-22-17/h4-10,12-13H,11H2,1-3H3
InChIKeyKLVOLCWZIUJXJB-UHFFFAOYSA-N
MW376.49 g/mol
LogP4.35
Rot. Bonds4

About N-methyl-N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-thiazole-4-carboxamide

N-methyl-N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 11574366) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is N-methyl-N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID11574366
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC NameN-methyl-N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc3ccc(C)cn3c2CN(C)C(=O)c2cscn2)cc1
InChIInChI=1S/C21H20N4OS/c1-14-4-7-16(8-5-14)20-18(25-10-15(2)6-9-19(25)23-20)11-24(3)21(26)17-12-27-13-22-17/h4-10,12-13H,11H2,1-3H3
InChIKeyKLVOLCWZIUJXJB-UHFFFAOYSA-N
XLogP4.35
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-thiazole-4-carboxamide (CID 11574366) is N-methyl-N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc3ccc(C)cn3c2CN(C)C(=O)c2cscn2)cc1.
What is the InChIKey of N-methyl-N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is KLVOLCWZIUJXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c1-14-4-7-16(8-5-14)20-18(25-10-15(2)6-9-19(25)23-20)11-24(3)21(26)17-12-27-13-22-17/h4-10,12-13H,11H2,1-3H3.
What are the key properties of N-methyl-N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-thiazole-4-carboxamide?
N-methyl-N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 376.49 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11574366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).