1-N-(4-chlorophenyl)-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine

C14H11ClN4S — CID 73295559

IUPAC1-N-(4-chlorophenyl)-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine
SMILESClc1ccc(Nc2ccc(Nc3nncs3)cc2)cc1
InChIInChI=1S/C14H11ClN4S/c15-10-1-3-11(4-2-10)17-12-5-7-13(8-6-12)18-14-19-16-9-20-14/h1-9,17H,(H,18,19)
InChIKeyPOMFIGZNWGBYOY-UHFFFAOYSA-N
MW302.79 g/mol
LogP4.68
Rot. Bonds4

About 1-N-(4-chlorophenyl)-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine

1-N-(4-chlorophenyl)-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine (PubChem CID 73295559) has the molecular formula C14H11ClN4S and a molecular weight of 302.79 g/mol. Its IUPAC name is 1-N-(4-chlorophenyl)-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(4-chlorophenyl)-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine
PubChem CID73295559
Molecular FormulaC14H11ClN4S
Molecular Weight302.79 g/mol
Exact Mass302.04
IUPAC Name1-N-(4-chlorophenyl)-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine
SMILESClc1ccc(Nc2ccc(Nc3nncs3)cc2)cc1
InChIInChI=1S/C14H11ClN4S/c15-10-1-3-11(4-2-10)17-12-5-7-13(8-6-12)18-14-19-16-9-20-14/h1-9,17H,(H,18,19)
InChIKeyPOMFIGZNWGBYOY-UHFFFAOYSA-N
XLogP4.68
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chlorophenyl)-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine?
The IUPAC name of 1-N-(4-chlorophenyl)-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine (CID 73295559) is 1-N-(4-chlorophenyl)-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-(4-chlorophenyl)-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine?
The canonical SMILES for 1-N-(4-chlorophenyl)-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine is Clc1ccc(Nc2ccc(Nc3nncs3)cc2)cc1.
What is the InChIKey of 1-N-(4-chlorophenyl)-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine?
The InChIKey is POMFIGZNWGBYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4S/c15-10-1-3-11(4-2-10)17-12-5-7-13(8-6-12)18-14-19-16-9-20-14/h1-9,17H,(H,18,19).
What are the key properties of 1-N-(4-chlorophenyl)-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine?
1-N-(4-chlorophenyl)-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine has a molecular weight of 302.79 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chlorophenyl)-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 73295559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).