6-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole

C14H13Cl2N5S — CID 165415205

IUPAC6-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCc1c(Cl)cc(Cl)c2nc(CCc3cn4c(n3)SCC4)nn12
InChIInChI=1S/C14H13Cl2N5S/c1-8-10(15)6-11(16)13-18-12(19-21(8)13)3-2-9-7-20-4-5-22-14(20)17-9/h6-7H,2-5H2,1H3
InChIKeyGKAPPVOTDUBRNJ-UHFFFAOYSA-N
MW354.27 g/mol
LogP3.43
Rot. Bonds3

About 6-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole

6-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 165415205) has the molecular formula C14H13Cl2N5S and a molecular weight of 354.27 g/mol. Its IUPAC name is 6-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID165415205
Molecular FormulaC14H13Cl2N5S
Molecular Weight354.27 g/mol
Exact Mass353.03
IUPAC Name6-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCc1c(Cl)cc(Cl)c2nc(CCc3cn4c(n3)SCC4)nn12
InChIInChI=1S/C14H13Cl2N5S/c1-8-10(15)6-11(16)13-18-12(19-21(8)13)3-2-9-7-20-4-5-22-14(20)17-9/h6-7H,2-5H2,1H3
InChIKeyGKAPPVOTDUBRNJ-UHFFFAOYSA-N
XLogP3.43
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole (CID 165415205) is 6-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole is Cc1c(Cl)cc(Cl)c2nc(CCc3cn4c(n3)SCC4)nn12.
What is the InChIKey of 6-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is GKAPPVOTDUBRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N5S/c1-8-10(15)6-11(16)13-18-12(19-21(8)13)3-2-9-7-20-4-5-22-14(20)17-9/h6-7H,2-5H2,1H3.
What are the key properties of 6-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole?
6-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 354.27 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 165415205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).