2-chloro-5-(4-chlorophenyl)-1,3,4-thiadiazole

C8H4Cl2N2S — CID 13318775

IUPAC2-chloro-5-(4-chlorophenyl)-1,3,4-thiadiazole
SMILESClc1ccc(-c2nnc(Cl)s2)cc1
InChIInChI=1S/C8H4Cl2N2S/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H
InChIKeyUVTBFAQZJPMCIT-UHFFFAOYSA-N
MW231.11 g/mol
LogP3.51
Rot. Bonds1

About 2-chloro-5-(4-chlorophenyl)-1,3,4-thiadiazole

2-chloro-5-(4-chlorophenyl)-1,3,4-thiadiazole (PubChem CID 13318775) has the molecular formula C8H4Cl2N2S and a molecular weight of 231.11 g/mol. Its IUPAC name is 2-chloro-5-(4-chlorophenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-(4-chlorophenyl)-1,3,4-thiadiazole
PubChem CID13318775
Molecular FormulaC8H4Cl2N2S
Molecular Weight231.11 g/mol
Exact Mass229.95
IUPAC Name2-chloro-5-(4-chlorophenyl)-1,3,4-thiadiazole
SMILESClc1ccc(-c2nnc(Cl)s2)cc1
InChIInChI=1S/C8H4Cl2N2S/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H
InChIKeyUVTBFAQZJPMCIT-UHFFFAOYSA-N
XLogP3.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.11
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Chlorzolamide
CID 165323
5-(2-Chlorophenyl)-1,3,4-thiadiazol-2-amine
CID 554211
5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-amine
CID 668392
5-(2,4-Dichlorophenyl)-1,3,4-thiadiazol-2-amine
CID 182638
5-(3,4-Dichlorophenyl)-1,3,4-thiadiazol-2-amine
CID 554213
2-Chloro-5-phenyl-1,3,4-thiadiazole
CID 253145
5-(3-Chlorophenyl)-1,3,4-thiadiazol-2-amine
CID 2772306
2-Bromo-5-phenyl-1,3,4-thiadiazole
CID 13104117
1,3,4-Thiadiazole, 5-(4-chlorophenyl)-2-(dimethylamino)-
CID 3039977
1,3,4-Thiadiazole, 2-amino-5-(o-chlorophenyl)-, hydrochloride, hydrate
CID 11971453
Sbb059609
CID 2769382
5-(2,6-Dichlorophenyl)-1,3,4-thiadiazol-2-amine
CID 3771774

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-chlorophenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-(4-chlorophenyl)-1,3,4-thiadiazole (CID 13318775) is 2-chloro-5-(4-chlorophenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-(4-chlorophenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-(4-chlorophenyl)-1,3,4-thiadiazole is Clc1ccc(-c2nnc(Cl)s2)cc1.
What is the InChIKey of 2-chloro-5-(4-chlorophenyl)-1,3,4-thiadiazole?
The InChIKey is UVTBFAQZJPMCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2S/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H.
What are the key properties of 2-chloro-5-(4-chlorophenyl)-1,3,4-thiadiazole?
2-chloro-5-(4-chlorophenyl)-1,3,4-thiadiazole has a molecular weight of 231.11 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-chlorophenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 13318775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).