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

C14H9Cl2N3S — CID 127030350

IUPACN-(3,4-dichlorophenyl)-5-phenyl-1,3,4-thiadiazol-2-amine
SMILESClc1ccc(Nc2nnc(-c3ccccc3)s2)cc1Cl
InChIInChI=1S/C14H9Cl2N3S/c15-11-7-6-10(8-12(11)16)17-14-19-18-13(20-14)9-4-2-1-3-5-9/h1-8H,(H,17,19)
InChIKeyYHLKPOQMGQDUEV-UHFFFAOYSA-N
MW322.22 g/mol
LogP5.26
Rot. Bonds3

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

N-(3,4-dichlorophenyl)-5-phenyl-1,3,4-thiadiazol-2-amine (PubChem CID 127030350) has the molecular formula C14H9Cl2N3S and a molecular weight of 322.22 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-5-phenyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-5-phenyl-1,3,4-thiadiazol-2-amine
PubChem CID127030350
Molecular FormulaC14H9Cl2N3S
Molecular Weight322.22 g/mol
Exact Mass320.99
IUPAC NameN-(3,4-dichlorophenyl)-5-phenyl-1,3,4-thiadiazol-2-amine
SMILESClc1ccc(Nc2nnc(-c3ccccc3)s2)cc1Cl
InChIInChI=1S/C14H9Cl2N3S/c15-11-7-6-10(8-12(11)16)17-14-19-18-13(20-14)9-4-2-1-3-5-9/h1-8H,(H,17,19)
InChIKeyYHLKPOQMGQDUEV-UHFFFAOYSA-N
XLogP5.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.22
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-5-phenyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-5-phenyl-1,3,4-thiadiazol-2-amine (CID 127030350) is N-(3,4-dichlorophenyl)-5-phenyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-5-phenyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-5-phenyl-1,3,4-thiadiazol-2-amine is Clc1ccc(Nc2nnc(-c3ccccc3)s2)cc1Cl.
What is the InChIKey of N-(3,4-dichlorophenyl)-5-phenyl-1,3,4-thiadiazol-2-amine?
The InChIKey is YHLKPOQMGQDUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3S/c15-11-7-6-10(8-12(11)16)17-14-19-18-13(20-14)9-4-2-1-3-5-9/h1-8H,(H,17,19).
What are the key properties of N-(3,4-dichlorophenyl)-5-phenyl-1,3,4-thiadiazol-2-amine?
N-(3,4-dichlorophenyl)-5-phenyl-1,3,4-thiadiazol-2-amine has a molecular weight of 322.22 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-5-phenyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 127030350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).