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

C12H10Cl2N4S — CID 165415343

IUPAC2-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1,3-thiazole
SMILESCc1c(Cl)cc(Cl)c2nc(CCc3nccs3)nn12
InChIInChI=1S/C12H10Cl2N4S/c1-7-8(13)6-9(14)12-16-10(17-18(7)12)2-3-11-15-4-5-19-11/h4-6H,2-3H2,1H3
InChIKeySMEHPJMWHJAKNU-UHFFFAOYSA-N
MW313.21 g/mol
LogP3.59
Rot. Bonds3

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

2-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1,3-thiazole (PubChem CID 165415343) has the molecular formula C12H10Cl2N4S and a molecular weight of 313.21 g/mol. Its IUPAC name is 2-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1,3-thiazole
PubChem CID165415343
Molecular FormulaC12H10Cl2N4S
Molecular Weight313.21 g/mol
Exact Mass312.00
IUPAC Name2-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1,3-thiazole
SMILESCc1c(Cl)cc(Cl)c2nc(CCc3nccs3)nn12
InChIInChI=1S/C12H10Cl2N4S/c1-7-8(13)6-9(14)12-16-10(17-18(7)12)2-3-11-15-4-5-19-11/h4-6H,2-3H2,1H3
InChIKeySMEHPJMWHJAKNU-UHFFFAOYSA-N
XLogP3.59
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1,3-thiazole?
The IUPAC name of 2-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1,3-thiazole (CID 165415343) is 2-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 2-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1,3-thiazole is Cc1c(Cl)cc(Cl)c2nc(CCc3nccs3)nn12.
What is the InChIKey of 2-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1,3-thiazole?
The InChIKey is SMEHPJMWHJAKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4S/c1-7-8(13)6-9(14)12-16-10(17-18(7)12)2-3-11-15-4-5-19-11/h4-6H,2-3H2,1H3.
What are the key properties of 2-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1,3-thiazole?
2-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1,3-thiazole has a molecular weight of 313.21 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6,8-dichloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 165415343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).