4-methyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]-1,3-thiazol-2-one

C12H12N4OS2 — CID 17445314

IUPAC4-methyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCSc1nnc2ccccn12
InChIInChI=1S/C12H12N4OS2/c1-9-8-19-12(17)15(9)6-7-18-11-14-13-10-4-2-3-5-16(10)11/h2-5,8H,6-7H2,1H3
InChIKeyPMKSVCVTRPSLMW-UHFFFAOYSA-N
MW292.39 g/mol
LogP2.05
Rot. Bonds4

About 4-methyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]-1,3-thiazol-2-one

4-methyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]-1,3-thiazol-2-one (PubChem CID 17445314) has the molecular formula C12H12N4OS2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 4-methyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]-1,3-thiazol-2-one
PubChem CID17445314
Molecular FormulaC12H12N4OS2
Molecular Weight292.39 g/mol
Exact Mass292.05
IUPAC Name4-methyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCSc1nnc2ccccn12
InChIInChI=1S/C12H12N4OS2/c1-9-8-19-12(17)15(9)6-7-18-11-14-13-10-4-2-3-5-16(10)11/h2-5,8H,6-7H2,1H3
InChIKeyPMKSVCVTRPSLMW-UHFFFAOYSA-N
XLogP2.05
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]-1,3-thiazol-2-one (CID 17445314) is 4-methyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]-1,3-thiazol-2-one is Cc1csc(=O)n1CCSc1nnc2ccccn12.
What is the InChIKey of 4-methyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]-1,3-thiazol-2-one?
The InChIKey is PMKSVCVTRPSLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS2/c1-9-8-19-12(17)15(9)6-7-18-11-14-13-10-4-2-3-5-16(10)11/h2-5,8H,6-7H2,1H3.
What are the key properties of 4-methyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]-1,3-thiazol-2-one?
4-methyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]-1,3-thiazol-2-one has a molecular weight of 292.39 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]-1,3-thiazol-2-one is sourced from PubChem (CID 17445314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).