2-[(4-chlorophenyl)methylsulfanyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazole

C15H9ClF3N3S2 — CID 2746638

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazole
SMILESFC(F)(F)c1ccc(-c2nnc(SCc3ccc(Cl)cc3)s2)nc1
InChIInChI=1S/C15H9ClF3N3S2/c16-11-4-1-9(2-5-11)8-23-14-22-21-13(24-14)12-6-3-10(7-20-12)15(17,18)19/h1-7H,8H2
InChIKeyNZIQKAQOYDABCR-UHFFFAOYSA-N
MW387.84 g/mol
LogP5.56
Rot. Bonds4

About 2-[(4-chlorophenyl)methylsulfanyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazole

2-[(4-chlorophenyl)methylsulfanyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazole (PubChem CID 2746638) has the molecular formula C15H9ClF3N3S2 and a molecular weight of 387.84 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazole
PubChem CID2746638
Molecular FormulaC15H9ClF3N3S2
Molecular Weight387.84 g/mol
Exact Mass386.99
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazole
SMILESFC(F)(F)c1ccc(-c2nnc(SCc3ccc(Cl)cc3)s2)nc1
InChIInChI=1S/C15H9ClF3N3S2/c16-11-4-1-9(2-5-11)8-23-14-22-21-13(24-14)12-6-3-10(7-20-12)15(17,18)19/h1-7H,8H2
InChIKeyNZIQKAQOYDABCR-UHFFFAOYSA-N
XLogP5.56
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.84
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(4-chlorophenyl)methylsulfanyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazole 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 2-[(4-chlorophenyl)methylsulfanyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazole?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazole (CID 2746638) is 2-[(4-chlorophenyl)methylsulfanyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazole is FC(F)(F)c1ccc(-c2nnc(SCc3ccc(Cl)cc3)s2)nc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazole?
The InChIKey is NZIQKAQOYDABCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3S2/c16-11-4-1-9(2-5-11)8-23-14-22-21-13(24-14)12-6-3-10(7-20-12)15(17,18)19/h1-7H,8H2.
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazole?
2-[(4-chlorophenyl)methylsulfanyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazole has a molecular weight of 387.84 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-thiadiazole is sourced from PubChem (CID 2746638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).