4-chloro-2-imidazol-1-yl-1,3-benzothiazole

C10H6ClN3S — CID 141304717

IUPAC4-chloro-2-imidazol-1-yl-1,3-benzothiazole
SMILESClc1cccc2sc(-n3ccnc3)nc12
InChIInChI=1S/C10H6ClN3S/c11-7-2-1-3-8-9(7)13-10(15-8)14-5-4-12-6-14/h1-6H
InChIKeyPBQXEBNTGKODPL-UHFFFAOYSA-N
MW235.70 g/mol
LogP3.14
Rot. Bonds1

About 4-chloro-2-imidazol-1-yl-1,3-benzothiazole

4-chloro-2-imidazol-1-yl-1,3-benzothiazole (PubChem CID 141304717) has the molecular formula C10H6ClN3S and a molecular weight of 235.70 g/mol. Its IUPAC name is 4-chloro-2-imidazol-1-yl-1,3-benzothiazole.

Molecular Properties

Compound Name4-chloro-2-imidazol-1-yl-1,3-benzothiazole
PubChem CID141304717
Molecular FormulaC10H6ClN3S
Molecular Weight235.70 g/mol
Exact Mass235.00
IUPAC Name4-chloro-2-imidazol-1-yl-1,3-benzothiazole
SMILESClc1cccc2sc(-n3ccnc3)nc12
InChIInChI=1S/C10H6ClN3S/c11-7-2-1-3-8-9(7)13-10(15-8)14-5-4-12-6-14/h1-6H
InChIKeyPBQXEBNTGKODPL-UHFFFAOYSA-N
XLogP3.14
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.70
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromo-6-chlorophenyl)imidazole
CID 169336697
4-chloro-2-(dichloromethyl)-1,3-benzothiazole
CID 119088723
[1-(4-chloro-1,3-benzothiazol-2-yl)azetidin-3-yl] acetate
CID 71800365
1-(4-chloro-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692019
5-amino-1-(4-chloro-1,3-benzothiazol-2-yl)pyrazole-4-carbonitrile
CID 51048509
(4-chloro-1,3-benzothiazol-2-yl)hydrazine
CID 2049837
3-(4-chloro-1,3-benzothiazol-2-yl)-1H-quinazoline-2,4-dione
CID 2754474
4-[1-(4-chloro-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]morpholine
CID 172900775
4-chloro-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1,3-benzothiazole
CID 16937994
4-chloro-2-(4-phenylphenyl)-1,3-benzothiazole
CID 50850199
4-chloro-1,3-benzothiazole-2-carboxamide
CID 22283388
[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-chloro-6-fluorophenyl)methanone
CID 43982501

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-imidazol-1-yl-1,3-benzothiazole?
The IUPAC name of 4-chloro-2-imidazol-1-yl-1,3-benzothiazole (CID 141304717) is 4-chloro-2-imidazol-1-yl-1,3-benzothiazole.
What is the SMILES notation for 4-chloro-2-imidazol-1-yl-1,3-benzothiazole?
The canonical SMILES for 4-chloro-2-imidazol-1-yl-1,3-benzothiazole is Clc1cccc2sc(-n3ccnc3)nc12.
What is the InChIKey of 4-chloro-2-imidazol-1-yl-1,3-benzothiazole?
The InChIKey is PBQXEBNTGKODPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3S/c11-7-2-1-3-8-9(7)13-10(15-8)14-5-4-12-6-14/h1-6H.
What are the key properties of 4-chloro-2-imidazol-1-yl-1,3-benzothiazole?
4-chloro-2-imidazol-1-yl-1,3-benzothiazole has a molecular weight of 235.70 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-imidazol-1-yl-1,3-benzothiazole is sourced from PubChem (CID 141304717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).