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

C29H27N3O2S — CID 127030012

IUPAC6-amino-8-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)c(N)c(=O)n32)c1
InChIInChI=1S/C29H27N3O2S/c1-17-6-4-10-21(14-17)31-27(33)24-16-35-29-25(19-12-13-19)23(26(30)28(34)32(24)29)15-20-9-5-8-18-7-2-3-11-22(18)20/h2-11,14,19,24H,12-13,15-16,30H2,1H3,(H,31,33)
InChIKeyOMLLODMCQGDRIR-UHFFFAOYSA-N
MW481.62 g/mol
LogP5.65
Rot. Bonds5

About 6-amino-8-cyclopropyl-N-(3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide

6-amino-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 127030012) has the molecular formula C29H27N3O2S and a molecular weight of 481.62 g/mol. Its IUPAC name is 6-amino-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 Name6-amino-8-cyclopropyl-N-(3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
PubChem CID127030012
Molecular FormulaC29H27N3O2S
Molecular Weight481.62 g/mol
Exact Mass481.18
IUPAC Name6-amino-8-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)c(N)c(=O)n32)c1
InChIInChI=1S/C29H27N3O2S/c1-17-6-4-10-21(14-17)31-27(33)24-16-35-29-25(19-12-13-19)23(26(30)28(34)32(24)29)15-20-9-5-8-18-7-2-3-11-22(18)20/h2-11,14,19,24H,12-13,15-16,30H2,1H3,(H,31,33)
InChIKeyOMLLODMCQGDRIR-UHFFFAOYSA-N
XLogP5.65
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.62
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-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 6-amino-8-cyclopropyl-N-(3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (CID 127030012) is 6-amino-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 6-amino-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 6-amino-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)c(N)c(=O)n32)c1.
What is the InChIKey of 6-amino-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 OMLLODMCQGDRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O2S/c1-17-6-4-10-21(14-17)31-27(33)24-16-35-29-25(19-12-13-19)23(26(30)28(34)32(24)29)15-20-9-5-8-18-7-2-3-11-22(18)20/h2-11,14,19,24H,12-13,15-16,30H2,1H3,(H,31,33).
What are the key properties of 6-amino-8-cyclopropyl-N-(3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
6-amino-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 481.62 g/mol, XLogP of 5.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-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 127030012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).