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

C11H11ClN2S — CID 63030611

IUPAC5-chloro-2-pyrrolidin-3-yl-1,3-benzothiazole
SMILESClc1ccc2sc(C3CCNC3)nc2c1
InChIInChI=1S/C11H11ClN2S/c12-8-1-2-10-9(5-8)14-11(15-10)7-3-4-13-6-7/h1-2,5,7,13H,3-4,6H2
InChIKeyOVJAUXGWBXCNDQ-UHFFFAOYSA-N
MW238.74 g/mol
LogP3.03
Rot. Bonds1

About 5-chloro-2-pyrrolidin-3-yl-1,3-benzothiazole

5-chloro-2-pyrrolidin-3-yl-1,3-benzothiazole (PubChem CID 63030611) has the molecular formula C11H11ClN2S and a molecular weight of 238.74 g/mol. Its IUPAC name is 5-chloro-2-pyrrolidin-3-yl-1,3-benzothiazole.

Molecular Properties

Compound Name5-chloro-2-pyrrolidin-3-yl-1,3-benzothiazole
PubChem CID63030611
Molecular FormulaC11H11ClN2S
Molecular Weight238.74 g/mol
Exact Mass238.03
IUPAC Name5-chloro-2-pyrrolidin-3-yl-1,3-benzothiazole
SMILESClc1ccc2sc(C3CCNC3)nc2c1
InChIInChI=1S/C11H11ClN2S/c12-8-1-2-10-9(5-8)14-11(15-10)7-3-4-13-6-7/h1-2,5,7,13H,3-4,6H2
InChIKeyOVJAUXGWBXCNDQ-UHFFFAOYSA-N
XLogP3.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-piperidin-3-yl-1,3-benzothiazole
CID 79528193
2-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)-1,3-benzothiazole
CID 94917639
3-(5-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine
CID 66030593
2-cyclopropyl-5-piperidin-4-yl-1,3-benzothiazole
CID 117399909
2-(azepan-2-yl)-5-chloro-1,3-benzothiazole
CID 64560708
2-[(3S)-piperidin-3-yl]-1,3-benzothiazole
CID 2121164
1-bicyclo[1.1.0]butanyl-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]methanone
CID 166427433
5-chloro-2-piperidin-4-ylsulfanyl-1,3-benzothiazole;hydrochloride
CID 18538622
5-(5-chloro-1,3-benzothiazol-2-yl)pyrrolidin-3-ol
CID 175964104
(3R,5S)-5-(5-chloro-1,3-benzothiazol-2-yl)pyrrolidin-3-ol
CID 175964108
5-chloro-2-pyrrolidin-3-yl-1,3-benzoxazole
CID 63032538
5-nitro-2-piperidin-4-yl-1,3-benzothiazole
CID 142902771

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-pyrrolidin-3-yl-1,3-benzothiazole?
The IUPAC name of 5-chloro-2-pyrrolidin-3-yl-1,3-benzothiazole (CID 63030611) is 5-chloro-2-pyrrolidin-3-yl-1,3-benzothiazole.
What is the SMILES notation for 5-chloro-2-pyrrolidin-3-yl-1,3-benzothiazole?
The canonical SMILES for 5-chloro-2-pyrrolidin-3-yl-1,3-benzothiazole is Clc1ccc2sc(C3CCNC3)nc2c1.
What is the InChIKey of 5-chloro-2-pyrrolidin-3-yl-1,3-benzothiazole?
The InChIKey is OVJAUXGWBXCNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S/c12-8-1-2-10-9(5-8)14-11(15-10)7-3-4-13-6-7/h1-2,5,7,13H,3-4,6H2.
What are the key properties of 5-chloro-2-pyrrolidin-3-yl-1,3-benzothiazole?
5-chloro-2-pyrrolidin-3-yl-1,3-benzothiazole has a molecular weight of 238.74 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-pyrrolidin-3-yl-1,3-benzothiazole is sourced from PubChem (CID 63030611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).