5-chloro-2-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazole

C13H15ClN2S — CID 164753506

IUPAC5-chloro-2-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazole
SMILESClc1ccc2sc(CCN3CCCC3)nc2c1
InChIInChI=1S/C13H15ClN2S/c14-10-3-4-12-11(9-10)15-13(17-12)5-8-16-6-1-2-7-16/h3-4,9H,1-2,5-8H2
InChIKeyUKLDQCAVLZHMSM-UHFFFAOYSA-N
MW266.80 g/mol
LogP3.59
Rot. Bonds3

About 5-chloro-2-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazole

5-chloro-2-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazole (PubChem CID 164753506) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 5-chloro-2-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazole.

Molecular Properties

Compound Name5-chloro-2-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazole
PubChem CID164753506
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name5-chloro-2-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazole
SMILESClc1ccc2sc(CCN3CCCC3)nc2c1
InChIInChI=1S/C13H15ClN2S/c14-10-3-4-12-11(9-10)15-13(17-12)5-8-16-6-1-2-7-16/h3-4,9H,1-2,5-8H2
InChIKeyUKLDQCAVLZHMSM-UHFFFAOYSA-N
XLogP3.59
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470149
N-[(5-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
CID 60837389
3-(5-chloro-1,3-benzothiazol-2-yl)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 166201722
N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 119698367
5-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3-benzothiazol-2-amine
CID 62992189
1-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-amine
CID 64671247
4-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-yl]butanenitrile
CID 51111339
N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 119112638
N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119698358
2-[(5-chloro-1,3-benzothiazol-2-yl)methylsulfanyl]acetic acid
CID 104570542
4-[2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]ethyl]morpholine
CID 164752163
2-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-1-cyclopentylguanidine
CID 119117834

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazole?
The IUPAC name of 5-chloro-2-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazole (CID 164753506) is 5-chloro-2-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazole.
What is the SMILES notation for 5-chloro-2-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazole?
The canonical SMILES for 5-chloro-2-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazole is Clc1ccc2sc(CCN3CCCC3)nc2c1.
What is the InChIKey of 5-chloro-2-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazole?
The InChIKey is UKLDQCAVLZHMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c14-10-3-4-12-11(9-10)15-13(17-12)5-8-16-6-1-2-7-16/h3-4,9H,1-2,5-8H2.
What are the key properties of 5-chloro-2-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazole?
5-chloro-2-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazole has a molecular weight of 266.80 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazole is sourced from PubChem (CID 164753506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).