2-(2-fluorophenyl)-5-methylsulfanyl-1,3,4-thiadiazole

C9H7FN2S2 — CID 139221813

IUPAC2-(2-fluorophenyl)-5-methylsulfanyl-1,3,4-thiadiazole
SMILESCSc1nnc(-c2ccccc2F)s1
InChIInChI=1S/C9H7FN2S2/c1-13-9-12-11-8(14-9)6-4-2-3-5-7(6)10/h2-5H,1H3
InChIKeyZISGUHPZYIGNSS-UHFFFAOYSA-N
MW226.30 g/mol
LogP3.07
Rot. Bonds2

About 2-(2-fluorophenyl)-5-methylsulfanyl-1,3,4-thiadiazole

2-(2-fluorophenyl)-5-methylsulfanyl-1,3,4-thiadiazole (PubChem CID 139221813) has the molecular formula C9H7FN2S2 and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-methylsulfanyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-methylsulfanyl-1,3,4-thiadiazole
PubChem CID139221813
Molecular FormulaC9H7FN2S2
Molecular Weight226.30 g/mol
Exact Mass226.00
IUPAC Name2-(2-fluorophenyl)-5-methylsulfanyl-1,3,4-thiadiazole
SMILESCSc1nnc(-c2ccccc2F)s1
InChIInChI=1S/C9H7FN2S2/c1-13-9-12-11-8(14-9)6-4-2-3-5-7(6)10/h2-5H,1H3
InChIKeyZISGUHPZYIGNSS-UHFFFAOYSA-N
XLogP3.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-fluorophenyl)-5-methylsulfanyl-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

Related Compounds

1,3,4-Thiadiazole, 2,5-diphenyl-
CID 15080
5-(3-Fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 848588
2-Amino-5-(4-fluorophenyl)-1,3,4-thiadiazole
CID 554208
5-(2-Fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 554209
2-Methyl-5-phenyl-1,3,4-thiadiazole
CID 97425
1,3,4-Thiadiazole, 2-methoxy-5-phenyl-
CID 849918
2-Phenyl-1,3,4-thiadiazole
CID 199501
2-Chloro-5-phenyl-1,3,4-thiadiazole
CID 253145
2-Bromo-5-phenyl-1,3,4-thiadiazole
CID 13104117
4-Fluorobenzyl 5-methyl-1,3,4-thiadiazol-2-yl sulfide
CID 573249
1,3,4-Thiadiazole, 2-(methylsulfonyl)-5-phenyl-
CID 290120
2-Benzylsulfanyl-5-phenyl-1,3,4-thiadiazole
CID 22482115

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-methylsulfanyl-1,3,4-thiadiazole?
The IUPAC name of 2-(2-fluorophenyl)-5-methylsulfanyl-1,3,4-thiadiazole (CID 139221813) is 2-(2-fluorophenyl)-5-methylsulfanyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2-fluorophenyl)-5-methylsulfanyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(2-fluorophenyl)-5-methylsulfanyl-1,3,4-thiadiazole is CSc1nnc(-c2ccccc2F)s1.
What is the InChIKey of 2-(2-fluorophenyl)-5-methylsulfanyl-1,3,4-thiadiazole?
The InChIKey is ZISGUHPZYIGNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2S2/c1-13-9-12-11-8(14-9)6-4-2-3-5-7(6)10/h2-5H,1H3.
What are the key properties of 2-(2-fluorophenyl)-5-methylsulfanyl-1,3,4-thiadiazole?
2-(2-fluorophenyl)-5-methylsulfanyl-1,3,4-thiadiazole has a molecular weight of 226.30 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-methylsulfanyl-1,3,4-thiadiazole is sourced from PubChem (CID 139221813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).