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

C14H11ClN4S — CID 90035948

IUPAC2-(4-chlorophenyl)-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine
SMILESNc1ccc(Nc2nncs2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN4S/c15-10-3-1-9(2-4-10)12-7-11(5-6-13(12)16)18-14-19-17-8-20-14/h1-8H,16H2,(H,18,19)
InChIKeyMLZBVZXNBVQJLU-UHFFFAOYSA-N
MW302.79 g/mol
LogP4.18
Rot. Bonds3

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

2-(4-chlorophenyl)-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine (PubChem CID 90035948) has the molecular formula C14H11ClN4S and a molecular weight of 302.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine
PubChem CID90035948
Molecular FormulaC14H11ClN4S
Molecular Weight302.79 g/mol
Exact Mass302.04
IUPAC Name2-(4-chlorophenyl)-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine
SMILESNc1ccc(Nc2nncs2)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN4S/c15-10-3-1-9(2-4-10)12-7-11(5-6-13(12)16)18-14-19-17-8-20-14/h1-8H,16H2,(H,18,19)
InChIKeyMLZBVZXNBVQJLU-UHFFFAOYSA-N
XLogP4.18
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine
CID 73295562
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]phenyl]-1,3,4-thiadiazol-2-amine
CID 73295563
N-[4-[4-chloro-3-(trifluoromethyl)phenyl]phenyl]-1,3,4-thiadiazol-2-amine
CID 73295565
2-[4-chloro-3-(trifluoromethyl)phenyl]-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine
CID 118222194
1-N-(4-chlorophenyl)-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine
CID 73295559
N-[4-[(4-chloro-3-methylphenyl)methyl]phenyl]-1,3,4-thiadiazol-2-amine
CID 118230854
N-[4-(4-chloro-3-methylphenyl)phenyl]-1,3,4-thiadiazol-2-amine
CID 118230857
7-chloro-1H-quinoline-4-thione;N-cyclohexyl-1,3,4-thiadiazol-2-amine
CID 142915590
N-[4-[(4-chlorophenyl)methyl]phenyl]-1,3,4-thiadiazol-2-amine
CID 148587480
5-[(4-chlorophenyl)methylsulfanyl]-N-(2-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 7754026
5-[(4-chlorophenyl)methylsulfanyl]-N-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 9118525
N-naphthalen-1-yl-1,3,4-thiadiazol-2-amine
CID 13514295

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine?
The IUPAC name of 2-(4-chlorophenyl)-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine (CID 90035948) is 2-(4-chlorophenyl)-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine?
The canonical SMILES for 2-(4-chlorophenyl)-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine is Nc1ccc(Nc2nncs2)cc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine?
The InChIKey is MLZBVZXNBVQJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4S/c15-10-3-1-9(2-4-10)12-7-11(5-6-13(12)16)18-14-19-17-8-20-14/h1-8H,16H2,(H,18,19).
What are the key properties of 2-(4-chlorophenyl)-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine?
2-(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 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-N-(1,3,4-thiadiazol-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 90035948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).