5-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-methyl-1,2,4-thiadiazole

C10H5ClF3N5S2 — CID 133426382

IUPAC5-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(Sc2nnc3c(Cl)cc(C(F)(F)F)cn23)n1
InChIInChI=1S/C10H5ClF3N5S2/c1-4-15-9(21-18-4)20-8-17-16-7-6(11)2-5(3-19(7)8)10(12,13)14/h2-3H,1H3
InChIKeyBZRQEQZCEKVJEB-UHFFFAOYSA-N
MW351.77 g/mol
LogP3.71
Rot. Bonds2

About 5-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-methyl-1,2,4-thiadiazole

5-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-methyl-1,2,4-thiadiazole (PubChem CID 133426382) has the molecular formula C10H5ClF3N5S2 and a molecular weight of 351.77 g/mol. Its IUPAC name is 5-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-methyl-1,2,4-thiadiazole
PubChem CID133426382
Molecular FormulaC10H5ClF3N5S2
Molecular Weight351.77 g/mol
Exact Mass350.96
IUPAC Name5-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(Sc2nnc3c(Cl)cc(C(F)(F)F)cn23)n1
InChIInChI=1S/C10H5ClF3N5S2/c1-4-15-9(21-18-4)20-8-17-16-7-6(11)2-5(3-19(7)8)10(12,13)14/h2-3H,1H3
InChIKeyBZRQEQZCEKVJEB-UHFFFAOYSA-N
XLogP3.71
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.77
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-methyl-1,2,4-thiadiazole (CID 133426382) is 5-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-methyl-1,2,4-thiadiazole is Cc1nsc(Sc2nnc3c(Cl)cc(C(F)(F)F)cn23)n1.
What is the InChIKey of 5-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-methyl-1,2,4-thiadiazole?
The InChIKey is BZRQEQZCEKVJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3N5S2/c1-4-15-9(21-18-4)20-8-17-16-7-6(11)2-5(3-19(7)8)10(12,13)14/h2-3H,1H3.
What are the key properties of 5-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-methyl-1,2,4-thiadiazole?
5-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-methyl-1,2,4-thiadiazole has a molecular weight of 351.77 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 133426382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).