(3-fluoro-4-methylphenyl)-(thiadiazol-4-yl)methanone

C10H7FN2OS — CID 107129945

IUPAC(3-fluoro-4-methylphenyl)-(thiadiazol-4-yl)methanone
SMILESCc1ccc(C(=O)c2csnn2)cc1F
InChIInChI=1S/C10H7FN2OS/c1-6-2-3-7(4-8(6)11)10(14)9-5-15-13-12-9/h2-5H,1H3
InChIKeyJEWOLSCPBFDHCA-UHFFFAOYSA-N
MW222.24 g/mol
LogP2.22
Rot. Bonds2

About (3-fluoro-4-methylphenyl)-(thiadiazol-4-yl)methanone

(3-fluoro-4-methylphenyl)-(thiadiazol-4-yl)methanone (PubChem CID 107129945) has the molecular formula C10H7FN2OS and a molecular weight of 222.24 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-(thiadiazol-4-yl)methanone
PubChem CID107129945
Molecular FormulaC10H7FN2OS
Molecular Weight222.24 g/mol
Exact Mass222.03
IUPAC Name(3-fluoro-4-methylphenyl)-(thiadiazol-4-yl)methanone
SMILESCc1ccc(C(=O)c2csnn2)cc1F
InChIInChI=1S/C10H7FN2OS/c1-6-2-3-7(4-8(6)11)10(14)9-5-15-13-12-9/h2-5H,1H3
InChIKeyJEWOLSCPBFDHCA-UHFFFAOYSA-N
XLogP2.22
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-fluoro-4-methylphenyl)-(thiadiazol-4-yl)methanone 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 (3-fluoro-4-methylphenyl)-(thiadiazol-4-yl)methanone?
The IUPAC name of (3-fluoro-4-methylphenyl)-(thiadiazol-4-yl)methanone (CID 107129945) is (3-fluoro-4-methylphenyl)-(thiadiazol-4-yl)methanone.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-(thiadiazol-4-yl)methanone?
The canonical SMILES for (3-fluoro-4-methylphenyl)-(thiadiazol-4-yl)methanone is Cc1ccc(C(=O)c2csnn2)cc1F.
What is the InChIKey of (3-fluoro-4-methylphenyl)-(thiadiazol-4-yl)methanone?
The InChIKey is JEWOLSCPBFDHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2OS/c1-6-2-3-7(4-8(6)11)10(14)9-5-15-13-12-9/h2-5H,1H3.
What are the key properties of (3-fluoro-4-methylphenyl)-(thiadiazol-4-yl)methanone?
(3-fluoro-4-methylphenyl)-(thiadiazol-4-yl)methanone has a molecular weight of 222.24 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-(thiadiazol-4-yl)methanone is sourced from PubChem (CID 107129945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).