6-fluoro-2-(2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole

C12H7FN4S3 — CID 118070676

IUPAC6-fluoro-2-(2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole
SMILESCSc1nn2cc(-c3nc4ccc(F)cc4s3)nc2s1
InChIInChI=1S/C12H7FN4S3/c1-18-12-16-17-5-8(15-11(17)20-12)10-14-7-3-2-6(13)4-9(7)19-10/h2-5H,1H3
InChIKeyZMFQLGKCMDUKEY-UHFFFAOYSA-N
MW322.42 g/mol
LogP3.93
Rot. Bonds2

About 6-fluoro-2-(2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole

6-fluoro-2-(2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole (PubChem CID 118070676) has the molecular formula C12H7FN4S3 and a molecular weight of 322.42 g/mol. Its IUPAC name is 6-fluoro-2-(2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-fluoro-2-(2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole
PubChem CID118070676
Molecular FormulaC12H7FN4S3
Molecular Weight322.42 g/mol
Exact Mass321.98
IUPAC Name6-fluoro-2-(2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole
SMILESCSc1nn2cc(-c3nc4ccc(F)cc4s3)nc2s1
InChIInChI=1S/C12H7FN4S3/c1-18-12-16-17-5-8(15-11(17)20-12)10-14-7-3-2-6(13)4-9(7)19-10/h2-5H,1H3
InChIKeyZMFQLGKCMDUKEY-UHFFFAOYSA-N
XLogP3.93
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-fluoro-2-(2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole 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 6-fluoro-2-(2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole?
The IUPAC name of 6-fluoro-2-(2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole (CID 118070676) is 6-fluoro-2-(2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole.
What is the SMILES notation for 6-fluoro-2-(2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole?
The canonical SMILES for 6-fluoro-2-(2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole is CSc1nn2cc(-c3nc4ccc(F)cc4s3)nc2s1.
What is the InChIKey of 6-fluoro-2-(2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole?
The InChIKey is ZMFQLGKCMDUKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN4S3/c1-18-12-16-17-5-8(15-11(17)20-12)10-14-7-3-2-6(13)4-9(7)19-10/h2-5H,1H3.
What are the key properties of 6-fluoro-2-(2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole?
6-fluoro-2-(2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole has a molecular weight of 322.42 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(2-methylsulfanylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazole is sourced from PubChem (CID 118070676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).