5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-piperazin-1-yl-1,3-thiazole

C19H17ClN6S — CID 86268997

IUPAC5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-piperazin-1-yl-1,3-thiazole
SMILESClc1ccc(-n2c(-c3cnc(N4CCNCC4)s3)nc3ccncc32)cc1
InChIInChI=1S/C19H17ClN6S/c20-13-1-3-14(4-2-13)26-16-11-22-6-5-15(16)24-18(26)17-12-23-19(27-17)25-9-7-21-8-10-25/h1-6,11-12,21H,7-10H2
InChIKeyFZUMIQRTMVSGNH-UHFFFAOYSA-N
MW396.91 g/mol
LogP3.61
Rot. Bonds3

About 5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-piperazin-1-yl-1,3-thiazole

5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-piperazin-1-yl-1,3-thiazole (PubChem CID 86268997) has the molecular formula C19H17ClN6S and a molecular weight of 396.91 g/mol. Its IUPAC name is 5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-piperazin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-piperazin-1-yl-1,3-thiazole
PubChem CID86268997
Molecular FormulaC19H17ClN6S
Molecular Weight396.91 g/mol
Exact Mass396.09
IUPAC Name5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-piperazin-1-yl-1,3-thiazole
SMILESClc1ccc(-n2c(-c3cnc(N4CCNCC4)s3)nc3ccncc32)cc1
InChIInChI=1S/C19H17ClN6S/c20-13-1-3-14(4-2-13)26-16-11-22-6-5-15(16)24-18(26)17-12-23-19(27-17)25-9-7-21-8-10-25/h1-6,11-12,21H,7-10H2
InChIKeyFZUMIQRTMVSGNH-UHFFFAOYSA-N
XLogP3.61
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.91
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-piperazin-1-yl-1,3-thiazole?
The IUPAC name of 5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-piperazin-1-yl-1,3-thiazole (CID 86268997) is 5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-piperazin-1-yl-1,3-thiazole.
What is the SMILES notation for 5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-piperazin-1-yl-1,3-thiazole?
The canonical SMILES for 5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-piperazin-1-yl-1,3-thiazole is Clc1ccc(-n2c(-c3cnc(N4CCNCC4)s3)nc3ccncc32)cc1.
What is the InChIKey of 5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-piperazin-1-yl-1,3-thiazole?
The InChIKey is FZUMIQRTMVSGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6S/c20-13-1-3-14(4-2-13)26-16-11-22-6-5-15(16)24-18(26)17-12-23-19(27-17)25-9-7-21-8-10-25/h1-6,11-12,21H,7-10H2.
What are the key properties of 5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-piperazin-1-yl-1,3-thiazole?
5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-piperazin-1-yl-1,3-thiazole has a molecular weight of 396.91 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-chlorophenyl)imidazo[4,5-c]pyridin-2-yl]-2-piperazin-1-yl-1,3-thiazole is sourced from PubChem (CID 86268997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).