5-[5-amino-1-(4-chlorophenyl)triazol-4-yl]-N-phenyl-1,3,4-thiadiazol-2-amine

C16H12ClN7S — CID 15308885

IUPAC5-[5-amino-1-(4-chlorophenyl)triazol-4-yl]-N-phenyl-1,3,4-thiadiazol-2-amine
SMILESNc1c(-c2nnc(Nc3ccccc3)s2)nnn1-c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClN7S/c17-10-6-8-12(9-7-10)24-14(18)13(20-23-24)15-21-22-16(25-15)19-11-4-2-1-3-5-11/h1-9H,18H2,(H,19,22)
InChIKeyIXMHKDAURUUYJU-UHFFFAOYSA-N
MW369.84 g/mol
LogP3.77
Rot. Bonds4

About 5-[5-amino-1-(4-chlorophenyl)triazol-4-yl]-N-phenyl-1,3,4-thiadiazol-2-amine

5-[5-amino-1-(4-chlorophenyl)triazol-4-yl]-N-phenyl-1,3,4-thiadiazol-2-amine (PubChem CID 15308885) has the molecular formula C16H12ClN7S and a molecular weight of 369.84 g/mol. Its IUPAC name is 5-[5-amino-1-(4-chlorophenyl)triazol-4-yl]-N-phenyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[5-amino-1-(4-chlorophenyl)triazol-4-yl]-N-phenyl-1,3,4-thiadiazol-2-amine
PubChem CID15308885
Molecular FormulaC16H12ClN7S
Molecular Weight369.84 g/mol
Exact Mass369.06
IUPAC Name5-[5-amino-1-(4-chlorophenyl)triazol-4-yl]-N-phenyl-1,3,4-thiadiazol-2-amine
SMILESNc1c(-c2nnc(Nc3ccccc3)s2)nnn1-c1ccc(Cl)cc1
InChIInChI=1S/C16H12ClN7S/c17-10-6-8-12(9-7-10)24-14(18)13(20-23-24)15-21-22-16(25-15)19-11-4-2-1-3-5-11/h1-9H,18H2,(H,19,22)
InChIKeyIXMHKDAURUUYJU-UHFFFAOYSA-N
XLogP3.77
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.84
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-1-(4-chlorophenyl)triazol-4-yl]-N-phenyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[5-amino-1-(4-chlorophenyl)triazol-4-yl]-N-phenyl-1,3,4-thiadiazol-2-amine (CID 15308885) is 5-[5-amino-1-(4-chlorophenyl)triazol-4-yl]-N-phenyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[5-amino-1-(4-chlorophenyl)triazol-4-yl]-N-phenyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[5-amino-1-(4-chlorophenyl)triazol-4-yl]-N-phenyl-1,3,4-thiadiazol-2-amine is Nc1c(-c2nnc(Nc3ccccc3)s2)nnn1-c1ccc(Cl)cc1.
What is the InChIKey of 5-[5-amino-1-(4-chlorophenyl)triazol-4-yl]-N-phenyl-1,3,4-thiadiazol-2-amine?
The InChIKey is IXMHKDAURUUYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN7S/c17-10-6-8-12(9-7-10)24-14(18)13(20-23-24)15-21-22-16(25-15)19-11-4-2-1-3-5-11/h1-9H,18H2,(H,19,22).
What are the key properties of 5-[5-amino-1-(4-chlorophenyl)triazol-4-yl]-N-phenyl-1,3,4-thiadiazol-2-amine?
5-[5-amino-1-(4-chlorophenyl)triazol-4-yl]-N-phenyl-1,3,4-thiadiazol-2-amine has a molecular weight of 369.84 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-1-(4-chlorophenyl)triazol-4-yl]-N-phenyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 15308885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).