5-(5-methylsulfanylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine

C13H9F3N4S2 — CID 145155901

IUPAC5-(5-methylsulfanylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
SMILESCSc1ccc(-c2ccc(-c3n[nH]c(C(F)(F)F)n3)nc2)s1
InChIInChI=1S/C13H9F3N4S2/c1-21-10-5-4-9(22-10)7-2-3-8(17-6-7)11-18-12(20-19-11)13(14,15)16/h2-6H,1H3,(H,18,19,20)
InChIKeyDLCBCXNFBMPPEV-UHFFFAOYSA-N
MW342.37 g/mol
LogP4.34
Rot. Bonds3

About 5-(5-methylsulfanylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine

5-(5-methylsulfanylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine (PubChem CID 145155901) has the molecular formula C13H9F3N4S2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 5-(5-methylsulfanylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name5-(5-methylsulfanylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
PubChem CID145155901
Molecular FormulaC13H9F3N4S2
Molecular Weight342.37 g/mol
Exact Mass342.02
IUPAC Name5-(5-methylsulfanylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
SMILESCSc1ccc(-c2ccc(-c3n[nH]c(C(F)(F)F)n3)nc2)s1
InChIInChI=1S/C13H9F3N4S2/c1-21-10-5-4-9(22-10)7-2-3-8(17-6-7)11-18-12(20-19-11)13(14,15)16/h2-6H,1H3,(H,18,19,20)
InChIKeyDLCBCXNFBMPPEV-UHFFFAOYSA-N
XLogP4.34
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(5-methylsulfanylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylsulfanylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 5-(5-methylsulfanylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine (CID 145155901) is 5-(5-methylsulfanylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 5-(5-methylsulfanylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 5-(5-methylsulfanylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine is CSc1ccc(-c2ccc(-c3n[nH]c(C(F)(F)F)n3)nc2)s1.
What is the InChIKey of 5-(5-methylsulfanylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine?
The InChIKey is DLCBCXNFBMPPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4S2/c1-21-10-5-4-9(22-10)7-2-3-8(17-6-7)11-18-12(20-19-11)13(14,15)16/h2-6H,1H3,(H,18,19,20).
What are the key properties of 5-(5-methylsulfanylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine?
5-(5-methylsulfanylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine has a molecular weight of 342.37 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylsulfanylthiophen-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 145155901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).