5-chloro-2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole

C19H10ClNS2 — CID 171412005

IUPAC5-chloro-2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole
SMILESClc1cc2nc(-c3ccccc3)sc2c2c1sc1ccccc12
InChIInChI=1S/C19H10ClNS2/c20-13-10-14-18(23-19(21-14)11-6-2-1-3-7-11)16-12-8-4-5-9-15(12)22-17(13)16/h1-10H
InChIKeyBNIOYQMETGCVCH-UHFFFAOYSA-N
MW351.88 g/mol
LogP6.98
Rot. Bonds1

About 5-chloro-2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole

5-chloro-2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole (PubChem CID 171412005) has the molecular formula C19H10ClNS2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 5-chloro-2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole.

Molecular Properties

Compound Name5-chloro-2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole
PubChem CID171412005
Molecular FormulaC19H10ClNS2
Molecular Weight351.88 g/mol
Exact Mass350.99
IUPAC Name5-chloro-2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole
SMILESClc1cc2nc(-c3ccccc3)sc2c2c1sc1ccccc12
InChIInChI=1S/C19H10ClNS2/c20-13-10-14-18(23-19(21-14)11-6-2-1-3-7-11)16-12-8-4-5-9-15(12)22-17(13)16/h1-10H
InChIKeyBNIOYQMETGCVCH-UHFFFAOYSA-N
XLogP6.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.88
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-phenyl-[1]benzothiolo[2,3-g][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-phenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-g][1,3]benzothiazole
CID 171411985
N-(4-dibenzothiophen-4-ylphenyl)-N,2-diphenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-5-amine
CID 171412035
4-chloro-2-phenyl-[1]benzothiolo[3,2-b]pyridine
CID 90196949
7-chloro-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazole
CID 167123681
10-chloro-2-naphthalen-2-yl-[1]benzothiolo[3,2-f][1,3]benzothiazole
CID 171455403
3-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzothiazol-10-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 171455647
4-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazole
CID 171455562
N-[4-(2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-8-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 171411658
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzothiazol-4-yl)phenyl]aniline
CID 171456288
6-phenyl-[1]benzothiolo[2,3-c]quinoline
CID 129134458
4-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-(4-phenylphenyl)-[1]benzothiolo[2,3-f][1,3]benzothiazole
CID 171456477
2-(4-phenylphenyl)-4-[3-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]-[1]benzothiolo[2,3-f][1,3]benzothiazole
CID 171455133

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole?
The IUPAC name of 5-chloro-2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole (CID 171412005) is 5-chloro-2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole.
What is the SMILES notation for 5-chloro-2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole?
The canonical SMILES for 5-chloro-2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole is Clc1cc2nc(-c3ccccc3)sc2c2c1sc1ccccc12.
What is the InChIKey of 5-chloro-2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole?
The InChIKey is BNIOYQMETGCVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClNS2/c20-13-10-14-18(23-19(21-14)11-6-2-1-3-7-11)16-12-8-4-5-9-15(12)22-17(13)16/h1-10H.
What are the key properties of 5-chloro-2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole?
5-chloro-2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole has a molecular weight of 351.88 g/mol, XLogP of 6.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazole is sourced from PubChem (CID 171412005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).