6-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole

C11H11ClN2S — CID 7110134

IUPAC6-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole
SMILESClc1ccc2nc(N3CCCC3)sc2c1
InChIInChI=1S/C11H11ClN2S/c12-8-3-4-9-10(7-8)15-11(13-9)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2
InChIKeyCBQNDRJFHDVCEU-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.55
Rot. Bonds1

About 6-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole

6-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole (PubChem CID 7110134) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is 6-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole.

Molecular Properties

Compound Name6-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole
PubChem CID7110134
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name6-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole
SMILESClc1ccc2nc(N3CCCC3)sc2c1
InChIInChI=1S/C11H11ClN2S/c12-8-3-4-9-10(7-8)15-11(13-9)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2
InChIKeyCBQNDRJFHDVCEU-UHFFFAOYSA-N
XLogP3.55
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-(3-chlorophenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081569
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
[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-methoxy-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 5205722
2-pyrrolidin-1-yl-1,3-benzothiazole-6-carboxylic acid
CID 53212651
[4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-(4-methylphenyl)methanone
CID 2747131
(2-piperidin-1-yl-1,3-benzothiazol-6-yl) 4-chlorobenzoate
CID 8610906

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole?
The IUPAC name of 6-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole (CID 7110134) is 6-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole.
What is the SMILES notation for 6-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole?
The canonical SMILES for 6-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole is Clc1ccc2nc(N3CCCC3)sc2c1.
What is the InChIKey of 6-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole?
The InChIKey is CBQNDRJFHDVCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c12-8-3-4-9-10(7-8)15-11(13-9)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2.
What are the key properties of 6-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole?
6-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole has a molecular weight of 238.74 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole is sourced from PubChem (CID 7110134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).