5-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-amine

C8H5ClFN3S — CID 974680

IUPAC5-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2ccc(F)cc2Cl)s1
InChIInChI=1S/C8H5ClFN3S/c9-6-3-4(10)1-2-5(6)7-12-13-8(11)14-7/h1-3H,(H2,11,13)
InChIKeyHNZCWVJOCVACGT-UHFFFAOYSA-N
MW229.67 g/mol
LogP2.58
Rot. Bonds1

About 5-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-amine

5-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 974680) has the molecular formula C8H5ClFN3S and a molecular weight of 229.67 g/mol. Its IUPAC name is 5-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-amine
PubChem CID974680
Molecular FormulaC8H5ClFN3S
Molecular Weight229.67 g/mol
Exact Mass228.99
IUPAC Name5-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2ccc(F)cc2Cl)s1
InChIInChI=1S/C8H5ClFN3S/c9-6-3-4(10)1-2-5(6)7-12-13-8(11)14-7/h1-3H,(H2,11,13)
InChIKeyHNZCWVJOCVACGT-UHFFFAOYSA-N
XLogP2.58
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-amine 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-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-amine (CID 974680) is 5-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(-c2ccc(F)cc2Cl)s1.
What is the InChIKey of 5-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is HNZCWVJOCVACGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFN3S/c9-6-3-4(10)1-2-5(6)7-12-13-8(11)14-7/h1-3H,(H2,11,13).
What are the key properties of 5-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-amine?
5-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 229.67 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 974680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).