2-(1,2,3,4-tetrahydroquinolin-5-yl)-[1,3]thiazolo[5,4-b]pyridine

C15H13N3S — CID 65335790

IUPAC2-(1,2,3,4-tetrahydroquinolin-5-yl)-[1,3]thiazolo[5,4-b]pyridine
SMILESc1cc2c(c(-c3nc4cccnc4s3)c1)CCCN2
InChIInChI=1S/C15H13N3S/c1-4-11(10-5-2-8-16-12(10)6-1)14-18-13-7-3-9-17-15(13)19-14/h1,3-4,6-7,9,16H,2,5,8H2
InChIKeyOMTRHPMQXXHOHO-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.72
Rot. Bonds1

About 2-(1,2,3,4-tetrahydroquinolin-5-yl)-[1,3]thiazolo[5,4-b]pyridine

2-(1,2,3,4-tetrahydroquinolin-5-yl)-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 65335790) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydroquinolin-5-yl)-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydroquinolin-5-yl)-[1,3]thiazolo[5,4-b]pyridine
PubChem CID65335790
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC Name2-(1,2,3,4-tetrahydroquinolin-5-yl)-[1,3]thiazolo[5,4-b]pyridine
SMILESc1cc2c(c(-c3nc4cccnc4s3)c1)CCCN2
InChIInChI=1S/C15H13N3S/c1-4-11(10-5-2-8-16-12(10)6-1)14-18-13-7-3-9-17-15(13)19-14/h1,3-4,6-7,9,16H,2,5,8H2
InChIKeyOMTRHPMQXXHOHO-UHFFFAOYSA-N
XLogP3.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydroquinolin-5-yl)-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-(1,2,3,4-tetrahydroquinolin-5-yl)-[1,3]thiazolo[5,4-b]pyridine (CID 65335790) is 2-(1,2,3,4-tetrahydroquinolin-5-yl)-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(1,2,3,4-tetrahydroquinolin-5-yl)-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-(1,2,3,4-tetrahydroquinolin-5-yl)-[1,3]thiazolo[5,4-b]pyridine is c1cc2c(c(-c3nc4cccnc4s3)c1)CCCN2.
What is the InChIKey of 2-(1,2,3,4-tetrahydroquinolin-5-yl)-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is OMTRHPMQXXHOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c1-4-11(10-5-2-8-16-12(10)6-1)14-18-13-7-3-9-17-15(13)19-14/h1,3-4,6-7,9,16H,2,5,8H2.
What are the key properties of 2-(1,2,3,4-tetrahydroquinolin-5-yl)-[1,3]thiazolo[5,4-b]pyridine?
2-(1,2,3,4-tetrahydroquinolin-5-yl)-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 267.36 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydroquinolin-5-yl)-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 65335790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).