2-(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridine

C17H13ClN4S — CID 155525123

IUPAC2-(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridine
SMILESClc1ccc2[nH]c3c(c2c1)CCN(c1nc2ncccc2s1)C3
InChIInChI=1S/C17H13ClN4S/c18-10-3-4-13-12(8-10)11-5-7-22(9-14(11)20-13)17-21-16-15(23-17)2-1-6-19-16/h1-4,6,8,20H,5,7,9H2
InChIKeyGVMKKZMBUWLVPP-UHFFFAOYSA-N
MW340.84 g/mol
LogP4.39
Rot. Bonds1

About 2-(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridine

2-(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 155525123) has the molecular formula C17H13ClN4S and a molecular weight of 340.84 g/mol. Its IUPAC name is 2-(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridine
PubChem CID155525123
Molecular FormulaC17H13ClN4S
Molecular Weight340.84 g/mol
Exact Mass340.05
IUPAC Name2-(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridine
SMILESClc1ccc2[nH]c3c(c2c1)CCN(c1nc2ncccc2s1)C3
InChIInChI=1S/C17H13ClN4S/c18-10-3-4-13-12(8-10)11-5-7-22(9-14(11)20-13)17-21-16-15(23-17)2-1-6-19-16/h1-4,6,8,20H,5,7,9H2
InChIKeyGVMKKZMBUWLVPP-UHFFFAOYSA-N
XLogP4.39
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.84
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 2-(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridine (CID 155525123) is 2-(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 2-(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridine is Clc1ccc2[nH]c3c(c2c1)CCN(c1nc2ncccc2s1)C3.
What is the InChIKey of 2-(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is GVMKKZMBUWLVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4S/c18-10-3-4-13-12(8-10)11-5-7-22(9-14(11)20-13)17-21-16-15(23-17)2-1-6-19-16/h1-4,6,8,20H,5,7,9H2.
What are the key properties of 2-(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridine?
2-(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 340.84 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 155525123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).