N-[(4-methylphenyl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine

C16H15N3S — CID 25473399

IUPACN-[(4-methylphenyl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(CNc2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C16H15N3S/c1-12-7-9-13(10-8-12)11-17-16-19-18-15(20-16)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,17,19)
InChIKeyUTDUJAVDDVNNQG-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.13
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine

N-[(4-methylphenyl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine (PubChem CID 25473399) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine
PubChem CID25473399
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC NameN-[(4-methylphenyl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(CNc2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C16H15N3S/c1-12-7-9-13(10-8-12)11-17-16-19-18-15(20-16)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,17,19)
InChIKeyUTDUJAVDDVNNQG-UHFFFAOYSA-N
XLogP4.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-methylphenyl)methyl]-5-phenyl-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 N-[(4-methylphenyl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(4-methylphenyl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine (CID 25473399) is N-[(4-methylphenyl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine is Cc1ccc(CNc2nnc(-c3ccccc3)s2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine?
The InChIKey is UTDUJAVDDVNNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-12-7-9-13(10-8-12)11-17-16-19-18-15(20-16)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,17,19).
What are the key properties of N-[(4-methylphenyl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine?
N-[(4-methylphenyl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine has a molecular weight of 281.38 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 25473399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).