8-cyclopropyl-2-methyl-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid

C23H19NO3S — CID 46901100

IUPAC8-cyclopropyl-2-methyl-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
SMILESCc1sc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n2c1C(=O)O
InChIInChI=1S/C23H19NO3S/c1-13-21(23(26)27)24-19(25)12-17(20(15-9-10-15)22(24)28-13)11-16-7-4-6-14-5-2-3-8-18(14)16/h2-8,12,15H,9-11H2,1H3,(H,26,27)
InChIKeySDFBKWRDRQTOMW-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.99
Rot. Bonds4

About 8-cyclopropyl-2-methyl-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid

8-cyclopropyl-2-methyl-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid (PubChem CID 46901100) has the molecular formula C23H19NO3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 8-cyclopropyl-2-methyl-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name8-cyclopropyl-2-methyl-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
PubChem CID46901100
Molecular FormulaC23H19NO3S
Molecular Weight389.48 g/mol
Exact Mass389.11
IUPAC Name8-cyclopropyl-2-methyl-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
SMILESCc1sc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n2c1C(=O)O
InChIInChI=1S/C23H19NO3S/c1-13-21(23(26)27)24-19(25)12-17(20(15-9-10-15)22(24)28-13)11-16-7-4-6-14-5-2-3-8-18(14)16/h2-8,12,15H,9-11H2,1H3,(H,26,27)
InChIKeySDFBKWRDRQTOMW-UHFFFAOYSA-N
XLogP4.99
TPSA58.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-2-methyl-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 8-cyclopropyl-2-methyl-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid (CID 46901100) is 8-cyclopropyl-2-methyl-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 8-cyclopropyl-2-methyl-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 8-cyclopropyl-2-methyl-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid is Cc1sc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n2c1C(=O)O.
What is the InChIKey of 8-cyclopropyl-2-methyl-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid?
The InChIKey is SDFBKWRDRQTOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3S/c1-13-21(23(26)27)24-19(25)12-17(20(15-9-10-15)22(24)28-13)11-16-7-4-6-14-5-2-3-8-18(14)16/h2-8,12,15H,9-11H2,1H3,(H,26,27).
What are the key properties of 8-cyclopropyl-2-methyl-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid?
8-cyclopropyl-2-methyl-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid has a molecular weight of 389.48 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-2-methyl-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 46901100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).