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

C12H13ClN2S — CID 79528193

IUPAC6-chloro-2-piperidin-3-yl-1,3-benzothiazole
SMILESClc1ccc2nc(C3CCCNC3)sc2c1
InChIInChI=1S/C12H13ClN2S/c13-9-3-4-10-11(6-9)16-12(15-10)8-2-1-5-14-7-8/h3-4,6,8,14H,1-2,5,7H2
InChIKeyRXXKCEWYMRVKCV-UHFFFAOYSA-N
MW252.77 g/mol
LogP3.42
Rot. Bonds1

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

6-chloro-2-piperidin-3-yl-1,3-benzothiazole (PubChem CID 79528193) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is 6-chloro-2-piperidin-3-yl-1,3-benzothiazole.

Molecular Properties

Compound Name6-chloro-2-piperidin-3-yl-1,3-benzothiazole
PubChem CID79528193
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC Name6-chloro-2-piperidin-3-yl-1,3-benzothiazole
SMILESClc1ccc2nc(C3CCCNC3)sc2c1
InChIInChI=1S/C12H13ClN2S/c13-9-3-4-10-11(6-9)16-12(15-10)8-2-1-5-14-7-8/h3-4,6,8,14H,1-2,5,7H2
InChIKeyRXXKCEWYMRVKCV-UHFFFAOYSA-N
XLogP3.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-pyrrolidin-3-yl-1,3-benzothiazole
CID 63030611
2-[(3S)-piperidin-3-yl]-1,3-benzothiazole
CID 2121164
6-chloro-2-piperidin-2-yl-1,3-benzothiazole
CID 79528887
4-(2,5-dichlorophenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62541775
2-tert-butyl-6-piperidin-3-yl-1,3-benzothiazole
CID 117439012
5-chloro-2-piperidin-3-yl-1,3-benzoxazole
CID 43114866
4-methyl-2-piperidin-3-yl-1,3-benzothiazole
CID 79147053
2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-6-chloro-1,3-benzothiazole
CID 79525130
(3S)-3-(2,5-dichlorophenyl)piperidine
CID 93478490
2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-1,3-benzothiazole
CID 79528719
2-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)-1,3-benzothiazole
CID 94917639
2-bromo-6-chloro-1,3-benzothiazole
CID 11499762

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-piperidin-3-yl-1,3-benzothiazole?
The IUPAC name of 6-chloro-2-piperidin-3-yl-1,3-benzothiazole (CID 79528193) is 6-chloro-2-piperidin-3-yl-1,3-benzothiazole.
What is the SMILES notation for 6-chloro-2-piperidin-3-yl-1,3-benzothiazole?
The canonical SMILES for 6-chloro-2-piperidin-3-yl-1,3-benzothiazole is Clc1ccc2nc(C3CCCNC3)sc2c1.
What is the InChIKey of 6-chloro-2-piperidin-3-yl-1,3-benzothiazole?
The InChIKey is RXXKCEWYMRVKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2S/c13-9-3-4-10-11(6-9)16-12(15-10)8-2-1-5-14-7-8/h3-4,6,8,14H,1-2,5,7H2.
What are the key properties of 6-chloro-2-piperidin-3-yl-1,3-benzothiazole?
6-chloro-2-piperidin-3-yl-1,3-benzothiazole has a molecular weight of 252.77 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-piperidin-3-yl-1,3-benzothiazole is sourced from PubChem (CID 79528193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).