2-[4-(4-fluorophenyl)sulfanylphenyl]-1,3-benzothiazole

C19H12FNS2 — CID 54671861

IUPAC2-[4-(4-fluorophenyl)sulfanylphenyl]-1,3-benzothiazole
SMILESFc1ccc(Sc2ccc(-c3nc4ccccc4s3)cc2)cc1
InChIInChI=1S/C19H12FNS2/c20-14-7-11-16(12-8-14)22-15-9-5-13(6-10-15)19-21-17-3-1-2-4-18(17)23-19/h1-12H
InChIKeyOTZVODIJKYKAKE-UHFFFAOYSA-N
MW337.44 g/mol
LogP6.25
Rot. Bonds3

About 2-[4-(4-fluorophenyl)sulfanylphenyl]-1,3-benzothiazole

2-[4-(4-fluorophenyl)sulfanylphenyl]-1,3-benzothiazole (PubChem CID 54671861) has the molecular formula C19H12FNS2 and a molecular weight of 337.44 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)sulfanylphenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)sulfanylphenyl]-1,3-benzothiazole
PubChem CID54671861
Molecular FormulaC19H12FNS2
Molecular Weight337.44 g/mol
Exact Mass337.04
IUPAC Name2-[4-(4-fluorophenyl)sulfanylphenyl]-1,3-benzothiazole
SMILESFc1ccc(Sc2ccc(-c3nc4ccccc4s3)cc2)cc1
InChIInChI=1S/C19H12FNS2/c20-14-7-11-16(12-8-14)22-15-9-5-13(6-10-15)19-21-17-3-1-2-4-18(17)23-19/h1-12H
InChIKeyOTZVODIJKYKAKE-UHFFFAOYSA-N
XLogP6.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.44
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-(4-fluorophenyl)sulfanylphenyl]-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

Related Compounds

2-[4-(4-fluorophenyl)naphthalen-1-yl]-1,3-benzothiazole
CID 171056267
2-[4-[3-(3-fluorophenyl)phenyl]phenyl]-1,3-benzothiazole
CID 171056559
iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
2-[4-[6-[4-(3,5-difluorophenyl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 166850431
2-[1-[(4-fluorophenyl)methyl]pyridin-1-ium-4-yl]-1,3-benzothiazole bromide
CID 91680084
2-[4-[(E)-2-[4-(1,3-benzothiazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzothiazole
CID 58995434
2-(4-fluorophenyl)-1,3-benzothiazol-6-ol
CID 16734166
2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 130389356
4-(1,3-benzothiazol-2-yl)aniline;molecular hydrogen
CID 145349668
2-[5-[4-(1,3-benzothiazol-2-yl)phenyl]thiophen-2-yl]-1,3-benzothiazole
CID 15192720
4-[4-[4-(1,3-benzothiazol-2-yl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]anilino]phenyl]-N,N-bis[4-(1,3-benzothiazol-2-yl)phenyl]aniline
CID 59707533
2-(4-ethylphenyl)-1,3-benzothiazole
CID 17307932

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)sulfanylphenyl]-1,3-benzothiazole?
The IUPAC name of 2-[4-(4-fluorophenyl)sulfanylphenyl]-1,3-benzothiazole (CID 54671861) is 2-[4-(4-fluorophenyl)sulfanylphenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[4-(4-fluorophenyl)sulfanylphenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[4-(4-fluorophenyl)sulfanylphenyl]-1,3-benzothiazole is Fc1ccc(Sc2ccc(-c3nc4ccccc4s3)cc2)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)sulfanylphenyl]-1,3-benzothiazole?
The InChIKey is OTZVODIJKYKAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FNS2/c20-14-7-11-16(12-8-14)22-15-9-5-13(6-10-15)19-21-17-3-1-2-4-18(17)23-19/h1-12H.
What are the key properties of 2-[4-(4-fluorophenyl)sulfanylphenyl]-1,3-benzothiazole?
2-[4-(4-fluorophenyl)sulfanylphenyl]-1,3-benzothiazole has a molecular weight of 337.44 g/mol, XLogP of 6.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)sulfanylphenyl]-1,3-benzothiazole is sourced from PubChem (CID 54671861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).