2-(2-chloro-3-pyridinyl)-1,3-benzothiazole

C12H7ClN2S — CID 2764495

IUPAC2-(2-chloro-3-pyridinyl)-1,3-benzothiazole
SMILESClc1ncccc1-c1nc2ccccc2s1
InChIInChI=1S/C12H7ClN2S/c13-11-8(4-3-7-14-11)12-15-9-5-1-2-6-10(9)16-12/h1-7H
InChIKeyBTZQMMNGDIRTEN-UHFFFAOYSA-N
MW246.72 g/mol
LogP4.01
Rot. Bonds1

About 2-(2-chloro-3-pyridinyl)-1,3-benzothiazole

2-(2-chloro-3-pyridinyl)-1,3-benzothiazole (PubChem CID 2764495) has the molecular formula C12H7ClN2S and a molecular weight of 246.72 g/mol. Its IUPAC name is 2-(2-chloro-3-pyridinyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2-chloro-3-pyridinyl)-1,3-benzothiazole
PubChem CID2764495
Molecular FormulaC12H7ClN2S
Molecular Weight246.72 g/mol
Exact Mass246.00
IUPAC Name2-(2-chloro-3-pyridinyl)-1,3-benzothiazole
SMILESClc1ncccc1-c1nc2ccccc2s1
InChIInChI=1S/C12H7ClN2S/c13-11-8(4-3-7-14-11)12-15-9-5-1-2-6-10(9)16-12/h1-7H
InChIKeyBTZQMMNGDIRTEN-UHFFFAOYSA-N
XLogP4.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-(2-chloro-3-pyridinyl)-1,3-benzothiazole 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

2-(2-Pyridinyl)benzothiazole
CID 12856
2-(4'-Chlorophenyl)benzothiazole
CID 95752
5-(1,3-Benzothiazol-2-yl)pyridin-2-amine
CID 4868360
4-(4-Chlorophenyl)-2-pyridin-4-yl-1,3-thiazole
CID 2806768
Lauryl pyridinium 5-chloro-2-mercaptobenzothiazole
CID 79411
4-(Benzo[d]thiazol-2-yl)-1-benzylpyridin-1-ium bromide
CID 44660009
2-(3-Pyridyl)benzothiazole
CID 235922
2-(2-Chlorophenyl)benzothiazole
CID 95763
2-(Pyridin-2-ylsulfanylmethyl)-1,3-benzothiazole
CID 2417513
(2E)-2-benzothiazol-2-yl-3-(2-pyridyl)prop-2-enenitrile
CID 5730061
(E)-3-pyridin-3-yl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enenitrile
CID 6247117
Benzothiazolium, 3-[(4-chlorophenyl)methyl]-, bromide
CID 2843219

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-pyridinyl)-1,3-benzothiazole?
The IUPAC name of 2-(2-chloro-3-pyridinyl)-1,3-benzothiazole (CID 2764495) is 2-(2-chloro-3-pyridinyl)-1,3-benzothiazole.
What is the SMILES notation for 2-(2-chloro-3-pyridinyl)-1,3-benzothiazole?
The canonical SMILES for 2-(2-chloro-3-pyridinyl)-1,3-benzothiazole is Clc1ncccc1-c1nc2ccccc2s1.
What is the InChIKey of 2-(2-chloro-3-pyridinyl)-1,3-benzothiazole?
The InChIKey is BTZQMMNGDIRTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2S/c13-11-8(4-3-7-14-11)12-15-9-5-1-2-6-10(9)16-12/h1-7H.
What are the key properties of 2-(2-chloro-3-pyridinyl)-1,3-benzothiazole?
2-(2-chloro-3-pyridinyl)-1,3-benzothiazole has a molecular weight of 246.72 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-pyridinyl)-1,3-benzothiazole is sourced from PubChem (CID 2764495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).