6-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-benzothiazole

C12H11ClF2N2S — CID 166603229

IUPAC6-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-benzothiazole
SMILESFC1(F)CCN(c2nc3ccc(Cl)cc3s2)CC1
InChIInChI=1S/C12H11ClF2N2S/c13-8-1-2-9-10(7-8)18-11(16-9)17-5-3-12(14,15)4-6-17/h1-2,7H,3-6H2
InChIKeyOPIWUIPVDDZIOH-UHFFFAOYSA-N
MW288.75 g/mol
LogP4.19
Rot. Bonds1

About 6-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-benzothiazole

6-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-benzothiazole (PubChem CID 166603229) has the molecular formula C12H11ClF2N2S and a molecular weight of 288.75 g/mol. Its IUPAC name is 6-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-benzothiazole
PubChem CID166603229
Molecular FormulaC12H11ClF2N2S
Molecular Weight288.75 g/mol
Exact Mass288.03
IUPAC Name6-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-benzothiazole
SMILESFC1(F)CCN(c2nc3ccc(Cl)cc3s2)CC1
InChIInChI=1S/C12H11ClF2N2S/c13-8-1-2-9-10(7-8)18-11(16-9)17-5-3-12(14,15)4-6-17/h1-2,7H,3-6H2
InChIKeyOPIWUIPVDDZIOH-UHFFFAOYSA-N
XLogP4.19
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-chloro-2-(4,4-difluoropiperidin-1-yl)-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

6-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 7110134
4-(6-chloro-1,3-benzothiazol-2-yl)morpholine
CID 2741382
6-chloro-2-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081569
6-chloro-2-(4-ethylpiperidin-1-yl)-1,3-benzothiazole
CID 71083482
6-chloro-2-(4-cyclopentylpiperazin-1-yl)-1,3-benzothiazole;hydrochloride
CID 131730289
6-chloro-2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121083465
ethyl 2-(4,4-difluoropiperidin-1-yl)-1,3-benzothiazole-6-carboxylate
CID 59625687
but-2-enedioic acid;6-chloro-2-piperazin-1-yl-1,3-benzothiazole
CID 68654648
6-chloro-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081574
1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-cyclohexylethanone
CID 43982264
6-chloro-2-[4-(6-chloro-2-ethylpyrimidin-4-yl)piperazin-1-yl]-1,3-benzothiazole
CID 108777459
[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopentylmethanone
CID 43982262

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-benzothiazole?
The IUPAC name of 6-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-benzothiazole (CID 166603229) is 6-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-benzothiazole.
What is the SMILES notation for 6-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-benzothiazole?
The canonical SMILES for 6-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-benzothiazole is FC1(F)CCN(c2nc3ccc(Cl)cc3s2)CC1.
What is the InChIKey of 6-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-benzothiazole?
The InChIKey is OPIWUIPVDDZIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF2N2S/c13-8-1-2-9-10(7-8)18-11(16-9)17-5-3-12(14,15)4-6-17/h1-2,7H,3-6H2.
What are the key properties of 6-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-benzothiazole?
6-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-benzothiazole has a molecular weight of 288.75 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-benzothiazole is sourced from PubChem (CID 166603229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).