1,3-benzothiazol-6-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

C19H16F3N3OS — CID 7494496

IUPAC1,3-benzothiazol-6-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc2ncsc2c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H16F3N3OS/c20-19(21,22)14-2-1-3-15(11-14)24-6-8-25(9-7-24)18(26)13-4-5-16-17(10-13)27-12-23-16/h1-5,10-12H,6-9H2
InChIKeyBDAKLEUOOLFNIF-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.28
Rot. Bonds2

About 1,3-benzothiazol-6-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

1,3-benzothiazol-6-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 7494496) has the molecular formula C19H16F3N3OS and a molecular weight of 391.42 g/mol. Its IUPAC name is 1,3-benzothiazol-6-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzothiazol-6-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID7494496
Molecular FormulaC19H16F3N3OS
Molecular Weight391.42 g/mol
Exact Mass391.10
IUPAC Name1,3-benzothiazol-6-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESO=C(c1ccc2ncsc2c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H16F3N3OS/c20-19(21,22)14-2-1-3-15(11-14)24-6-8-25(9-7-24)18(26)13-4-5-16-17(10-13)27-12-23-16/h1-5,10-12H,6-9H2
InChIKeyBDAKLEUOOLFNIF-UHFFFAOYSA-N
XLogP4.28
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,3-benzothiazol-6-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-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

Related Compounds

2-[1-(3-Methylbenzoyl)piperidin-4-yl]-1,3-benzothiazole
CID 1430023
2-[1-(3-Fluorobenzoyl)piperidin-4-yl]-1,3-benzothiazole
CID 1430047
N-(pyridin-4-yl)-1,3-benzothiazole-6-carboxamide
CID 18109210
N-(3-fluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 712469
N-(2,4-difluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 2092996
N-(2-propan-2-ylphenyl)-1,3-benzothiazole-6-carboxamide
CID 2096442
N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 2738140
N-(1,3-benzothiazol-2-ylmethyl)-4-fluoro-N-methylbenzamide
CID 8085236
N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-fluoro-N-methylbenzamide
CID 16316743
N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,4-difluoro-N-methylbenzamide
CID 16320216
1,3-Benzothiazol-6-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 24981621
1-(2-Methyl-6-benzothiazolyl)-3-(N-benzyl-4-piperidinyl)propan-1-one
CID 192441

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-6-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of 1,3-benzothiazol-6-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 7494496) is 1,3-benzothiazol-6-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for 1,3-benzothiazol-6-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for 1,3-benzothiazol-6-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is O=C(c1ccc2ncsc2c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1,3-benzothiazol-6-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is BDAKLEUOOLFNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3OS/c20-19(21,22)14-2-1-3-15(11-14)24-6-8-25(9-7-24)18(26)13-4-5-16-17(10-13)27-12-23-16/h1-5,10-12H,6-9H2.
What are the key properties of 1,3-benzothiazol-6-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
1,3-benzothiazol-6-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 391.42 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-6-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 7494496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).