2-chloro-4-(2,3-dichlorophenyl)-1,3-thiazole

C9H4Cl3NS — CID 103695064

IUPAC2-chloro-4-(2,3-dichlorophenyl)-1,3-thiazole
SMILESClc1nc(-c2cccc(Cl)c2Cl)cs1
InChIInChI=1S/C9H4Cl3NS/c10-6-3-1-2-5(8(6)11)7-4-14-9(12)13-7/h1-4H
InChIKeyNMGTZAHKEBFTTQ-UHFFFAOYSA-N
MW264.56 g/mol
LogP4.77
Rot. Bonds1

About 2-chloro-4-(2,3-dichlorophenyl)-1,3-thiazole

2-chloro-4-(2,3-dichlorophenyl)-1,3-thiazole (PubChem CID 103695064) has the molecular formula C9H4Cl3NS and a molecular weight of 264.56 g/mol. Its IUPAC name is 2-chloro-4-(2,3-dichlorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4-(2,3-dichlorophenyl)-1,3-thiazole
PubChem CID103695064
Molecular FormulaC9H4Cl3NS
Molecular Weight264.56 g/mol
Exact Mass262.91
IUPAC Name2-chloro-4-(2,3-dichlorophenyl)-1,3-thiazole
SMILESClc1nc(-c2cccc(Cl)c2Cl)cs1
InChIInChI=1S/C9H4Cl3NS/c10-6-3-1-2-5(8(6)11)7-4-14-9(12)13-7/h1-4H
InChIKeyNMGTZAHKEBFTTQ-UHFFFAOYSA-N
XLogP4.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.56
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,3-dichlorophenyl)-1,3-thiazole?
The IUPAC name of 2-chloro-4-(2,3-dichlorophenyl)-1,3-thiazole (CID 103695064) is 2-chloro-4-(2,3-dichlorophenyl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-4-(2,3-dichlorophenyl)-1,3-thiazole?
The canonical SMILES for 2-chloro-4-(2,3-dichlorophenyl)-1,3-thiazole is Clc1nc(-c2cccc(Cl)c2Cl)cs1.
What is the InChIKey of 2-chloro-4-(2,3-dichlorophenyl)-1,3-thiazole?
The InChIKey is NMGTZAHKEBFTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl3NS/c10-6-3-1-2-5(8(6)11)7-4-14-9(12)13-7/h1-4H.
What are the key properties of 2-chloro-4-(2,3-dichlorophenyl)-1,3-thiazole?
2-chloro-4-(2,3-dichlorophenyl)-1,3-thiazole has a molecular weight of 264.56 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,3-dichlorophenyl)-1,3-thiazole is sourced from PubChem (CID 103695064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).