1-(3,5-dimethylphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine

C14H19N3S — CID 84598494

IUPAC1-(3,5-dimethylphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
SMILESCc1cc(C)cc(C(C)NCc2nnc(C)s2)c1
InChIInChI=1S/C14H19N3S/c1-9-5-10(2)7-13(6-9)11(3)15-8-14-17-16-12(4)18-14/h5-7,11,15H,8H2,1-4H3
InChIKeyORIPAHJEJBHHNU-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.31
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine

1-(3,5-dimethylphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine (PubChem CID 84598494) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
PubChem CID84598494
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name1-(3,5-dimethylphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
SMILESCc1cc(C)cc(C(C)NCc2nnc(C)s2)c1
InChIInChI=1S/C14H19N3S/c1-9-5-10(2)7-13(6-9)11(3)15-8-14-17-16-12(4)18-14/h5-7,11,15H,8H2,1-4H3
InChIKeyORIPAHJEJBHHNU-UHFFFAOYSA-N
XLogP3.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,5-dimethylphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine 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 1-(3,5-dimethylphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine (CID 84598494) is 1-(3,5-dimethylphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine is Cc1cc(C)cc(C(C)NCc2nnc(C)s2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine?
The InChIKey is ORIPAHJEJBHHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-9-5-10(2)7-13(6-9)11(3)15-8-14-17-16-12(4)18-14/h5-7,11,15H,8H2,1-4H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine?
1-(3,5-dimethylphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine has a molecular weight of 261.39 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 84598494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).