4-chloro-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine

C11H12ClN3S — CID 82192008

IUPAC4-chloro-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine
SMILESClc1cccc2sc(NC3CCNC3)nc12
InChIInChI=1S/C11H12ClN3S/c12-8-2-1-3-9-10(8)15-11(16-9)14-7-4-5-13-6-7/h1-3,7,13H,4-6H2,(H,14,15)
InChIKeyVFERYYGXBVTDNE-UHFFFAOYSA-N
MW253.76 g/mol
LogP2.72
Rot. Bonds2

About 4-chloro-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine

4-chloro-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine (PubChem CID 82192008) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 4-chloro-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine
PubChem CID82192008
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name4-chloro-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine
SMILESClc1cccc2sc(NC3CCNC3)nc12
InChIInChI=1S/C11H12ClN3S/c12-8-2-1-3-9-10(8)15-11(16-9)14-7-4-5-13-6-7/h1-3,7,13H,4-6H2,(H,14,15)
InChIKeyVFERYYGXBVTDNE-UHFFFAOYSA-N
XLogP2.72
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.76
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine 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

5-chloro-4-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine
CID 82192094
4,7-dichloro-N-piperidin-4-yl-1,3-benzothiazol-2-amine
CID 82192099
4-methoxy-N-piperidin-4-yl-1,3-benzothiazol-2-amine
CID 82192101
N-(4-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4563812
5,7-dichloro-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine
CID 82192018
(4-chloro-1,3-benzothiazol-2-yl)hydrazine
CID 2049837
4-chloro-2-piperidin-4-yloxy-1,3-benzothiazole
CID 52903650
N-(4-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 42732995
N-(2-chlorophenyl)pyrrolidin-3-amine
CID 66545622
6-chloro-N-pyrrolidin-3-ylpyridin-2-amine
CID 78996740
4-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine
CID 15578120
2-(azetidin-3-yloxy)-4-chloro-1,3-benzothiazole
CID 71779003

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine?
The IUPAC name of 4-chloro-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine (CID 82192008) is 4-chloro-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-chloro-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-chloro-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine is Clc1cccc2sc(NC3CCNC3)nc12.
What is the InChIKey of 4-chloro-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine?
The InChIKey is VFERYYGXBVTDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c12-8-2-1-3-9-10(8)15-11(16-9)14-7-4-5-13-6-7/h1-3,7,13H,4-6H2,(H,14,15).
What are the key properties of 4-chloro-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine?
4-chloro-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine has a molecular weight of 253.76 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82192008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).