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

C15H12ClN3OS — CID 118611376

IUPAC3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine
SMILESCOc1ccc(Nc2nc(-c3ccc(Cl)cc3)ns2)cc1
InChIInChI=1S/C15H12ClN3OS/c1-20-13-8-6-12(7-9-13)17-15-18-14(19-21-15)10-2-4-11(16)5-3-10/h2-9H,1H3,(H,17,18,19)
InChIKeyBAORIFLTMZPXKR-UHFFFAOYSA-N
MW317.80 g/mol
LogP4.61
Rot. Bonds4

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

3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine (PubChem CID 118611376) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine
PubChem CID118611376
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC Name3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine
SMILESCOc1ccc(Nc2nc(-c3ccc(Cl)cc3)ns2)cc1
InChIInChI=1S/C15H12ClN3OS/c1-20-13-8-6-12(7-9-13)17-15-18-14(19-21-15)10-2-4-11(16)5-3-10/h2-9H,1H3,(H,17,18,19)
InChIKeyBAORIFLTMZPXKR-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 3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine (CID 118611376) is 3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine is COc1ccc(Nc2nc(-c3ccc(Cl)cc3)ns2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is BAORIFLTMZPXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c1-20-13-8-6-12(7-9-13)17-15-18-14(19-21-15)10-2-4-11(16)5-3-10/h2-9H,1H3,(H,17,18,19).
What are the key properties of 3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine?
3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-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 3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 118611376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).