8-cyclopropyl-7-[(2,3-dimethylphenyl)methyl]-N-(4-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide

C27H28N2O2S — CID 127030334

IUPAC8-cyclopropyl-7-[(2,3-dimethylphenyl)methyl]-N-(4-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CSc3c(C4CC4)c(Cc4cccc(C)c4C)cc(=O)n32)cc1
InChIInChI=1S/C27H28N2O2S/c1-16-7-11-22(12-8-16)28-26(31)23-15-32-27-25(19-9-10-19)21(14-24(30)29(23)27)13-20-6-4-5-17(2)18(20)3/h4-8,11-12,14,19,23H,9-10,13,15H2,1-3H3,(H,28,31)
InChIKeyIFNRGJPCODUICT-UHFFFAOYSA-N
MW444.60 g/mol
LogP5.53
Rot. Bonds5

About 8-cyclopropyl-7-[(2,3-dimethylphenyl)methyl]-N-(4-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide

8-cyclopropyl-7-[(2,3-dimethylphenyl)methyl]-N-(4-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (PubChem CID 127030334) has the molecular formula C27H28N2O2S and a molecular weight of 444.60 g/mol. Its IUPAC name is 8-cyclopropyl-7-[(2,3-dimethylphenyl)methyl]-N-(4-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-cyclopropyl-7-[(2,3-dimethylphenyl)methyl]-N-(4-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
PubChem CID127030334
Molecular FormulaC27H28N2O2S
Molecular Weight444.60 g/mol
Exact Mass444.19
IUPAC Name8-cyclopropyl-7-[(2,3-dimethylphenyl)methyl]-N-(4-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CSc3c(C4CC4)c(Cc4cccc(C)c4C)cc(=O)n32)cc1
InChIInChI=1S/C27H28N2O2S/c1-16-7-11-22(12-8-16)28-26(31)23-15-32-27-25(19-9-10-19)21(14-24(30)29(23)27)13-20-6-4-5-17(2)18(20)3/h4-8,11-12,14,19,23H,9-10,13,15H2,1-3H3,(H,28,31)
InChIKeyIFNRGJPCODUICT-UHFFFAOYSA-N
XLogP5.53
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.60
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-cyclopropyl-7-[(2,3-dimethylphenyl)methyl]-N-(4-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-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 8-cyclopropyl-7-[(2,3-dimethylphenyl)methyl]-N-(4-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-cyclopropyl-7-[(2,3-dimethylphenyl)methyl]-N-(4-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (CID 127030334) is 8-cyclopropyl-7-[(2,3-dimethylphenyl)methyl]-N-(4-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-cyclopropyl-7-[(2,3-dimethylphenyl)methyl]-N-(4-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-cyclopropyl-7-[(2,3-dimethylphenyl)methyl]-N-(4-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide is Cc1ccc(NC(=O)C2CSc3c(C4CC4)c(Cc4cccc(C)c4C)cc(=O)n32)cc1.
What is the InChIKey of 8-cyclopropyl-7-[(2,3-dimethylphenyl)methyl]-N-(4-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
The InChIKey is IFNRGJPCODUICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2S/c1-16-7-11-22(12-8-16)28-26(31)23-15-32-27-25(19-9-10-19)21(14-24(30)29(23)27)13-20-6-4-5-17(2)18(20)3/h4-8,11-12,14,19,23H,9-10,13,15H2,1-3H3,(H,28,31).
What are the key properties of 8-cyclopropyl-7-[(2,3-dimethylphenyl)methyl]-N-(4-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
8-cyclopropyl-7-[(2,3-dimethylphenyl)methyl]-N-(4-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide has a molecular weight of 444.60 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-7-[(2,3-dimethylphenyl)methyl]-N-(4-methylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 127030334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).