[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone

C18H16FN3OS — CID 7539111

IUPAC[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(c2nc3ccc(F)cc3s2)CC1
InChIInChI=1S/C18H16FN3OS/c19-14-6-7-15-16(12-14)24-18(20-15)22-10-8-21(9-11-22)17(23)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyUJPCMBCDZJXIBE-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.40
Rot. Bonds2

About [4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone

[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone (PubChem CID 7539111) has the molecular formula C18H16FN3OS and a molecular weight of 341.41 g/mol. Its IUPAC name is [4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone
PubChem CID7539111
Molecular FormulaC18H16FN3OS
Molecular Weight341.41 g/mol
Exact Mass341.10
IUPAC Name[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(c2nc3ccc(F)cc3s2)CC1
InChIInChI=1S/C18H16FN3OS/c19-14-6-7-15-16(12-14)24-18(20-15)22-10-8-21(9-11-22)17(23)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyUJPCMBCDZJXIBE-UHFFFAOYSA-N
XLogP3.40
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone 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

ethane;[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone
CID 157251546
[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 7539120
[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 7539121
[3-(dimethylamino)phenyl]-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 121083155
[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 43983003
[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 7539147
[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-phenylquinolin-4-yl)methanone
CID 41115411
1-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 7292594
[4-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 41115263
[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 43981722
(3-fluorophenyl)-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 8702667
(6-chloropyrazin-2-yl)-[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 56947198

Frequently Asked Questions

What is the IUPAC name of [4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone (CID 7539111) is [4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(c2nc3ccc(F)cc3s2)CC1.
What is the InChIKey of [4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone?
The InChIKey is UJPCMBCDZJXIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3OS/c19-14-6-7-15-16(12-14)24-18(20-15)22-10-8-21(9-11-22)17(23)13-4-2-1-3-5-13/h1-7,12H,8-11H2.
What are the key properties of [4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone?
[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone has a molecular weight of 341.41 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 7539111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).