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

C29H26N2O2S — CID 86345111

IUPAC8-cyclopropyl-N-(3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CSc3c(C4CC4)c(Cc4cccc5ccccc45)cc(=O)n32)c1
InChIInChI=1S/C29H26N2O2S/c1-18-6-4-10-23(14-18)30-28(33)25-17-34-29-27(20-12-13-20)22(16-26(32)31(25)29)15-21-9-5-8-19-7-2-3-11-24(19)21/h2-11,14,16,20,25H,12-13,15,17H2,1H3,(H,30,33)
InChIKeyLMSMOXORTBNOOI-UHFFFAOYSA-N
MW466.61 g/mol
LogP6.06
Rot. Bonds5

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

8-cyclopropyl-N-(3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (PubChem CID 86345111) has the molecular formula C29H26N2O2S and a molecular weight of 466.61 g/mol. Its IUPAC name is 8-cyclopropyl-N-(3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-cyclopropyl-N-(3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
PubChem CID86345111
Molecular FormulaC29H26N2O2S
Molecular Weight466.61 g/mol
Exact Mass466.17
IUPAC Name8-cyclopropyl-N-(3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)C2CSc3c(C4CC4)c(Cc4cccc5ccccc45)cc(=O)n32)c1
InChIInChI=1S/C29H26N2O2S/c1-18-6-4-10-23(14-18)30-28(33)25-17-34-29-27(20-12-13-20)22(16-26(32)31(25)29)15-21-9-5-8-19-7-2-3-11-24(19)21/h2-11,14,16,20,25H,12-13,15,17H2,1H3,(H,30,33)
InChIKeyLMSMOXORTBNOOI-UHFFFAOYSA-N
XLogP6.06
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.61
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-N-(3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-cyclopropyl-N-(3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (CID 86345111) is 8-cyclopropyl-N-(3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-cyclopropyl-N-(3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-cyclopropyl-N-(3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide is Cc1cccc(NC(=O)C2CSc3c(C4CC4)c(Cc4cccc5ccccc45)cc(=O)n32)c1.
What is the InChIKey of 8-cyclopropyl-N-(3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
The InChIKey is LMSMOXORTBNOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O2S/c1-18-6-4-10-23(14-18)30-28(33)25-17-34-29-27(20-12-13-20)22(16-26(32)31(25)29)15-21-9-5-8-19-7-2-3-11-24(19)21/h2-11,14,16,20,25H,12-13,15,17H2,1H3,(H,30,33).
What are the key properties of 8-cyclopropyl-N-(3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
8-cyclopropyl-N-(3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide has a molecular weight of 466.61 g/mol, XLogP of 6.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-N-(3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 86345111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).