5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methyl-1,2,4-thiadiazole

C9H5ClF3N3S2 — CID 133424406

IUPAC5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(Sc2ncc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C9H5ClF3N3S2/c1-4-15-8(18-16-4)17-7-6(10)2-5(3-14-7)9(11,12)13/h2-3H,1H3
InChIKeyAXWXYCVLKLQSBC-UHFFFAOYSA-N
MW311.74 g/mol
LogP4.06
Rot. Bonds2

About 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methyl-1,2,4-thiadiazole

5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methyl-1,2,4-thiadiazole (PubChem CID 133424406) has the molecular formula C9H5ClF3N3S2 and a molecular weight of 311.74 g/mol. Its IUPAC name is 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methyl-1,2,4-thiadiazole
PubChem CID133424406
Molecular FormulaC9H5ClF3N3S2
Molecular Weight311.74 g/mol
Exact Mass310.96
IUPAC Name5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(Sc2ncc(C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C9H5ClF3N3S2/c1-4-15-8(18-16-4)17-7-6(10)2-5(3-14-7)9(11,12)13/h2-3H,1H3
InChIKeyAXWXYCVLKLQSBC-UHFFFAOYSA-N
XLogP4.06
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.74
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methyl-1,2,4-thiadiazole (CID 133424406) is 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methyl-1,2,4-thiadiazole is Cc1nsc(Sc2ncc(C(F)(F)F)cc2Cl)n1.
What is the InChIKey of 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methyl-1,2,4-thiadiazole?
The InChIKey is AXWXYCVLKLQSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF3N3S2/c1-4-15-8(18-16-4)17-7-6(10)2-5(3-14-7)9(11,12)13/h2-3H,1H3.
What are the key properties of 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methyl-1,2,4-thiadiazole?
5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methyl-1,2,4-thiadiazole has a molecular weight of 311.74 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 133424406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).