6-chloro-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-benzothiazole

C17H15Cl2N3S — CID 121081569

IUPAC6-chloro-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-benzothiazole
SMILESClc1cccc(N2CCN(c3nc4ccc(Cl)cc4s3)CC2)c1
InChIInChI=1S/C17H15Cl2N3S/c18-12-2-1-3-14(10-12)21-6-8-22(9-7-21)17-20-15-5-4-13(19)11-16(15)23-17/h1-5,10-11H,6-9H2
InChIKeyFXJDWFNHLLPDSK-UHFFFAOYSA-N
MW364.30 g/mol
LogP4.93
Rot. Bonds2

About 6-chloro-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-benzothiazole

6-chloro-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-benzothiazole (PubChem CID 121081569) has the molecular formula C17H15Cl2N3S and a molecular weight of 364.30 g/mol. Its IUPAC name is 6-chloro-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-chloro-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-benzothiazole
PubChem CID121081569
Molecular FormulaC17H15Cl2N3S
Molecular Weight364.30 g/mol
Exact Mass363.04
IUPAC Name6-chloro-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-benzothiazole
SMILESClc1cccc(N2CCN(c3nc4ccc(Cl)cc4s3)CC2)c1
InChIInChI=1S/C17H15Cl2N3S/c18-12-2-1-3-14(10-12)21-6-8-22(9-7-21)17-20-15-5-4-13(19)11-16(15)23-17/h1-5,10-11H,6-9H2
InChIKeyFXJDWFNHLLPDSK-UHFFFAOYSA-N
XLogP4.93
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.30
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081574
2-[4-(3-chlorophenyl)piperazin-1-yl]-6-nitro-1,3-benzothiazole
CID 56553475
6-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 7110134
6-chloro-2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121083465
4-(6-chloro-1,3-benzothiazol-2-yl)morpholine
CID 2741382
6-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-benzothiazole
CID 166603229
6-chloro-2-(4-cyclopentylpiperazin-1-yl)-1,3-benzothiazole;hydrochloride
CID 131730289
[4-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 41115263
[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopentylmethanone
CID 43982262
6-chloro-2-(4-ethylpiperidin-1-yl)-1,3-benzothiazole
CID 71083482
but-2-enedioic acid;6-chloro-2-piperazin-1-yl-1,3-benzothiazole
CID 68654648
6-ethyl-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081540

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-benzothiazole?
The IUPAC name of 6-chloro-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-benzothiazole (CID 121081569) is 6-chloro-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-benzothiazole.
What is the SMILES notation for 6-chloro-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-benzothiazole?
The canonical SMILES for 6-chloro-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-benzothiazole is Clc1cccc(N2CCN(c3nc4ccc(Cl)cc4s3)CC2)c1.
What is the InChIKey of 6-chloro-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-benzothiazole?
The InChIKey is FXJDWFNHLLPDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3S/c18-12-2-1-3-14(10-12)21-6-8-22(9-7-21)17-20-15-5-4-13(19)11-16(15)23-17/h1-5,10-11H,6-9H2.
What are the key properties of 6-chloro-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-benzothiazole?
6-chloro-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-benzothiazole has a molecular weight of 364.30 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-benzothiazole is sourced from PubChem (CID 121081569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).