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

C19H15N3OS2 — CID 86298643

IUPAC5-(4-methoxyphenyl)-N-(5-phenylthiophen-3-yl)-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(-c2nnc(Nc3csc(-c4ccccc4)c3)s2)cc1
InChIInChI=1S/C19H15N3OS2/c1-23-16-9-7-14(8-10-16)18-21-22-19(25-18)20-15-11-17(24-12-15)13-5-3-2-4-6-13/h2-12H,1H3,(H,20,22)
InChIKeyZLUQYXCLXBYIJR-UHFFFAOYSA-N
MW365.48 g/mol
LogP5.69
Rot. Bonds5

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

5-(4-methoxyphenyl)-N-(5-phenylthiophen-3-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 86298643) has the molecular formula C19H15N3OS2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-(5-phenylthiophen-3-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-(5-phenylthiophen-3-yl)-1,3,4-thiadiazol-2-amine
PubChem CID86298643
Molecular FormulaC19H15N3OS2
Molecular Weight365.48 g/mol
Exact Mass365.07
IUPAC Name5-(4-methoxyphenyl)-N-(5-phenylthiophen-3-yl)-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(-c2nnc(Nc3csc(-c4ccccc4)c3)s2)cc1
InChIInChI=1S/C19H15N3OS2/c1-23-16-9-7-14(8-10-16)18-21-22-19(25-18)20-15-11-17(24-12-15)13-5-3-2-4-6-13/h2-12H,1H3,(H,20,22)
InChIKeyZLUQYXCLXBYIJR-UHFFFAOYSA-N
XLogP5.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(4-methoxyphenyl)-N-(5-phenylthiophen-3-yl)-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-(5-phenylthiophen-3-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-methoxyphenyl)-N-(5-phenylthiophen-3-yl)-1,3,4-thiadiazol-2-amine (CID 86298643) is 5-(4-methoxyphenyl)-N-(5-phenylthiophen-3-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-(5-phenylthiophen-3-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-N-(5-phenylthiophen-3-yl)-1,3,4-thiadiazol-2-amine is COc1ccc(-c2nnc(Nc3csc(-c4ccccc4)c3)s2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-(5-phenylthiophen-3-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is ZLUQYXCLXBYIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS2/c1-23-16-9-7-14(8-10-16)18-21-22-19(25-18)20-15-11-17(24-12-15)13-5-3-2-4-6-13/h2-12H,1H3,(H,20,22).
What are the key properties of 5-(4-methoxyphenyl)-N-(5-phenylthiophen-3-yl)-1,3,4-thiadiazol-2-amine?
5-(4-methoxyphenyl)-N-(5-phenylthiophen-3-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 365.48 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-(5-phenylthiophen-3-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 86298643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).