5-(3,4-dichlorophenyl)-1,3-thiazole

C9H5Cl2NS — CID 76539858

IUPAC5-(3,4-dichlorophenyl)-1,3-thiazole
SMILESClc1ccc(-c2cncs2)cc1Cl
InChIInChI=1S/C9H5Cl2NS/c10-7-2-1-6(3-8(7)11)9-4-12-5-13-9/h1-5H
InChIKeyLDBWVKMZNGRIMH-UHFFFAOYSA-N
MW230.12 g/mol
LogP4.12
Rot. Bonds1

About 5-(3,4-dichlorophenyl)-1,3-thiazole

5-(3,4-dichlorophenyl)-1,3-thiazole (PubChem CID 76539858) has the molecular formula C9H5Cl2NS and a molecular weight of 230.12 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-1,3-thiazole
PubChem CID76539858
Molecular FormulaC9H5Cl2NS
Molecular Weight230.12 g/mol
Exact Mass228.95
IUPAC Name5-(3,4-dichlorophenyl)-1,3-thiazole
SMILESClc1ccc(-c2cncs2)cc1Cl
InChIInChI=1S/C9H5Cl2NS/c10-7-2-1-6(3-8(7)11)9-4-12-5-13-9/h1-5H
InChIKeyLDBWVKMZNGRIMH-UHFFFAOYSA-N
XLogP4.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.12
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-1,3-thiazole?
The IUPAC name of 5-(3,4-dichlorophenyl)-1,3-thiazole (CID 76539858) is 5-(3,4-dichlorophenyl)-1,3-thiazole.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-1,3-thiazole?
The canonical SMILES for 5-(3,4-dichlorophenyl)-1,3-thiazole is Clc1ccc(-c2cncs2)cc1Cl.
What is the InChIKey of 5-(3,4-dichlorophenyl)-1,3-thiazole?
The InChIKey is LDBWVKMZNGRIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2NS/c10-7-2-1-6(3-8(7)11)9-4-12-5-13-9/h1-5H.
What are the key properties of 5-(3,4-dichlorophenyl)-1,3-thiazole?
5-(3,4-dichlorophenyl)-1,3-thiazole has a molecular weight of 230.12 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-1,3-thiazole is sourced from PubChem (CID 76539858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).