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

C16H15N3OS — CID 127032407

IUPAC5-(2-methoxyphenyl)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCOc1ccccc1-c1nnc(Nc2ccc(C)cc2)s1
InChIInChI=1S/C16H15N3OS/c1-11-7-9-12(10-8-11)17-16-19-18-15(21-16)13-5-3-4-6-14(13)20-2/h3-10H,1-2H3,(H,17,19)
InChIKeyZEXYHUHGUONBNF-UHFFFAOYSA-N
MW297.38 g/mol
LogP4.27
Rot. Bonds4

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

5-(2-methoxyphenyl)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 127032407) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID127032407
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name5-(2-methoxyphenyl)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCOc1ccccc1-c1nnc(Nc2ccc(C)cc2)s1
InChIInChI=1S/C16H15N3OS/c1-11-7-9-12(10-8-11)17-16-19-18-15(21-16)13-5-3-4-6-14(13)20-2/h3-10H,1-2H3,(H,17,19)
InChIKeyZEXYHUHGUONBNF-UHFFFAOYSA-N
XLogP4.27
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-methoxyphenyl)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine (CID 127032407) is 5-(2-methoxyphenyl)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-methoxyphenyl)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-methoxyphenyl)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine is COc1ccccc1-c1nnc(Nc2ccc(C)cc2)s1.
What is the InChIKey of 5-(2-methoxyphenyl)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is ZEXYHUHGUONBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-11-7-9-12(10-8-11)17-16-19-18-15(21-16)13-5-3-4-6-14(13)20-2/h3-10H,1-2H3,(H,17,19).
What are the key properties of 5-(2-methoxyphenyl)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
5-(2-methoxyphenyl)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 297.38 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 127032407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).