5-(2-chlorophenyl)-N-(3,4-dichlorophenyl)-1,3,4-thiadiazol-2-amine

C14H8Cl3N3S — CID 127034258

IUPAC5-(2-chlorophenyl)-N-(3,4-dichlorophenyl)-1,3,4-thiadiazol-2-amine
SMILESClc1ccc(Nc2nnc(-c3ccccc3Cl)s2)cc1Cl
InChIInChI=1S/C14H8Cl3N3S/c15-10-4-2-1-3-9(10)13-19-20-14(21-13)18-8-5-6-11(16)12(17)7-8/h1-7H,(H,18,20)
InChIKeyGIJMTUACOHLGFT-UHFFFAOYSA-N
MW356.67 g/mol
LogP5.91
Rot. Bonds3

About 5-(2-chlorophenyl)-N-(3,4-dichlorophenyl)-1,3,4-thiadiazol-2-amine

5-(2-chlorophenyl)-N-(3,4-dichlorophenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 127034258) has the molecular formula C14H8Cl3N3S and a molecular weight of 356.67 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(3,4-dichlorophenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(3,4-dichlorophenyl)-1,3,4-thiadiazol-2-amine
PubChem CID127034258
Molecular FormulaC14H8Cl3N3S
Molecular Weight356.67 g/mol
Exact Mass354.95
IUPAC Name5-(2-chlorophenyl)-N-(3,4-dichlorophenyl)-1,3,4-thiadiazol-2-amine
SMILESClc1ccc(Nc2nnc(-c3ccccc3Cl)s2)cc1Cl
InChIInChI=1S/C14H8Cl3N3S/c15-10-4-2-1-3-9(10)13-19-20-14(21-13)18-8-5-6-11(16)12(17)7-8/h1-7H,(H,18,20)
InChIKeyGIJMTUACOHLGFT-UHFFFAOYSA-N
XLogP5.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.67
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(3,4-dichlorophenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-chlorophenyl)-N-(3,4-dichlorophenyl)-1,3,4-thiadiazol-2-amine (CID 127034258) is 5-(2-chlorophenyl)-N-(3,4-dichlorophenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(3,4-dichlorophenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-chlorophenyl)-N-(3,4-dichlorophenyl)-1,3,4-thiadiazol-2-amine is Clc1ccc(Nc2nnc(-c3ccccc3Cl)s2)cc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-N-(3,4-dichlorophenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is GIJMTUACOHLGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3N3S/c15-10-4-2-1-3-9(10)13-19-20-14(21-13)18-8-5-6-11(16)12(17)7-8/h1-7H,(H,18,20).
What are the key properties of 5-(2-chlorophenyl)-N-(3,4-dichlorophenyl)-1,3,4-thiadiazol-2-amine?
5-(2-chlorophenyl)-N-(3,4-dichlorophenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 356.67 g/mol, XLogP of 5.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-(3,4-dichlorophenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 127034258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).