1,3-benzothiazol-6-yl-[4-(2-chlorophenyl)piperazin-1-yl]methanone

C18H16ClN3OS — CID 2574619

IUPAC1,3-benzothiazol-6-yl-[4-(2-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2ncsc2c1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C18H16ClN3OS/c19-14-3-1-2-4-16(14)21-7-9-22(10-8-21)18(23)13-5-6-15-17(11-13)24-12-20-15/h1-6,11-12H,7-10H2
InChIKeyOAPGZXPLUBJJAT-UHFFFAOYSA-N
MW357.87 g/mol
LogP3.91
Rot. Bonds2

About 1,3-benzothiazol-6-yl-[4-(2-chlorophenyl)piperazin-1-yl]methanone

1,3-benzothiazol-6-yl-[4-(2-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 2574619) has the molecular formula C18H16ClN3OS and a molecular weight of 357.87 g/mol. Its IUPAC name is 1,3-benzothiazol-6-yl-[4-(2-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzothiazol-6-yl-[4-(2-chlorophenyl)piperazin-1-yl]methanone
PubChem CID2574619
Molecular FormulaC18H16ClN3OS
Molecular Weight357.87 g/mol
Exact Mass357.07
IUPAC Name1,3-benzothiazol-6-yl-[4-(2-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2ncsc2c1)N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C18H16ClN3OS/c19-14-3-1-2-4-16(14)21-7-9-22(10-8-21)18(23)13-5-6-15-17(11-13)24-12-20-15/h1-6,11-12H,7-10H2
InChIKeyOAPGZXPLUBJJAT-UHFFFAOYSA-N
XLogP3.91
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.87
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,3-benzothiazol-6-yl-[4-(2-chlorophenyl)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

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-6-yl-[4-(2-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of 1,3-benzothiazol-6-yl-[4-(2-chlorophenyl)piperazin-1-yl]methanone (CID 2574619) is 1,3-benzothiazol-6-yl-[4-(2-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1,3-benzothiazol-6-yl-[4-(2-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for 1,3-benzothiazol-6-yl-[4-(2-chlorophenyl)piperazin-1-yl]methanone is O=C(c1ccc2ncsc2c1)N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 1,3-benzothiazol-6-yl-[4-(2-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is OAPGZXPLUBJJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3OS/c19-14-3-1-2-4-16(14)21-7-9-22(10-8-21)18(23)13-5-6-15-17(11-13)24-12-20-15/h1-6,11-12H,7-10H2.
What are the key properties of 1,3-benzothiazol-6-yl-[4-(2-chlorophenyl)piperazin-1-yl]methanone?
1,3-benzothiazol-6-yl-[4-(2-chlorophenyl)piperazin-1-yl]methanone has a molecular weight of 357.87 g/mol, XLogP of 3.91, 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-(2-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 2574619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).