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

C15H12ClN3OS — CID 118611410

IUPAC5-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-3-amine
SMILESCOc1ccc(Nc2nsc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C15H12ClN3OS/c1-20-13-8-6-12(7-9-13)17-15-18-14(21-19-15)10-2-4-11(16)5-3-10/h2-9H,1H3,(H,17,19)
InChIKeyBMUYFNCRATXFET-UHFFFAOYSA-N
MW317.80 g/mol
LogP4.61
Rot. Bonds4

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

5-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-3-amine (PubChem CID 118611410) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-3-amine
PubChem CID118611410
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC Name5-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-3-amine
SMILESCOc1ccc(Nc2nsc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C15H12ClN3OS/c1-20-13-8-6-12(7-9-13)17-15-18-14(21-19-15)10-2-4-11(16)5-3-10/h2-9H,1H3,(H,17,19)
InChIKeyBMUYFNCRATXFET-UHFFFAOYSA-N
XLogP4.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-3-amine (CID 118611410) is 5-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-3-amine is COc1ccc(Nc2nsc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-3-amine?
The InChIKey is BMUYFNCRATXFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c1-20-13-8-6-12(7-9-13)17-15-18-14(21-19-15)10-2-4-11(16)5-3-10/h2-9H,1H3,(H,17,19).
What are the key properties of 5-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-3-amine?
5-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-3-amine has a molecular weight of 317.80 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 118611410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).