4-(4-bromo-7-chloronaphthalen-1-yl)-1,3-thiazole

C13H7BrClNS — CID 173030169

IUPAC4-(4-bromo-7-chloronaphthalen-1-yl)-1,3-thiazole
SMILESClc1ccc2c(Br)ccc(-c3cscn3)c2c1
InChIInChI=1S/C13H7BrClNS/c14-12-4-3-10(13-6-17-7-16-13)11-5-8(15)1-2-9(11)12/h1-7H
InChIKeyBXBMPLAXSHPVJJ-UHFFFAOYSA-N
MW324.63 g/mol
LogP5.38
Rot. Bonds1

About 4-(4-bromo-7-chloronaphthalen-1-yl)-1,3-thiazole

4-(4-bromo-7-chloronaphthalen-1-yl)-1,3-thiazole (PubChem CID 173030169) has the molecular formula C13H7BrClNS and a molecular weight of 324.63 g/mol. Its IUPAC name is 4-(4-bromo-7-chloronaphthalen-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-bromo-7-chloronaphthalen-1-yl)-1,3-thiazole
PubChem CID173030169
Molecular FormulaC13H7BrClNS
Molecular Weight324.63 g/mol
Exact Mass322.92
IUPAC Name4-(4-bromo-7-chloronaphthalen-1-yl)-1,3-thiazole
SMILESClc1ccc2c(Br)ccc(-c3cscn3)c2c1
InChIInChI=1S/C13H7BrClNS/c14-12-4-3-10(13-6-17-7-16-13)11-5-8(15)1-2-9(11)12/h1-7H
InChIKeyBXBMPLAXSHPVJJ-UHFFFAOYSA-N
XLogP5.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.63
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(4-bromo-7-chloronaphthalen-1-yl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-7-chloronaphthalen-1-yl)-1,3-thiazole?
The IUPAC name of 4-(4-bromo-7-chloronaphthalen-1-yl)-1,3-thiazole (CID 173030169) is 4-(4-bromo-7-chloronaphthalen-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-(4-bromo-7-chloronaphthalen-1-yl)-1,3-thiazole?
The canonical SMILES for 4-(4-bromo-7-chloronaphthalen-1-yl)-1,3-thiazole is Clc1ccc2c(Br)ccc(-c3cscn3)c2c1.
What is the InChIKey of 4-(4-bromo-7-chloronaphthalen-1-yl)-1,3-thiazole?
The InChIKey is BXBMPLAXSHPVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClNS/c14-12-4-3-10(13-6-17-7-16-13)11-5-8(15)1-2-9(11)12/h1-7H.
What are the key properties of 4-(4-bromo-7-chloronaphthalen-1-yl)-1,3-thiazole?
4-(4-bromo-7-chloronaphthalen-1-yl)-1,3-thiazole has a molecular weight of 324.63 g/mol, XLogP of 5.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-7-chloronaphthalen-1-yl)-1,3-thiazole is sourced from PubChem (CID 173030169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).