2-[4-(4-methylphenyl)thiadiazol-5-yl]ethanamine

C11H13N3S — CID 96608949

IUPAC2-[4-(4-methylphenyl)thiadiazol-5-yl]ethanamine
SMILESCc1ccc(-c2nnsc2CCN)cc1
InChIInChI=1S/C11H13N3S/c1-8-2-4-9(5-3-8)11-10(6-7-12)15-14-13-11/h2-5H,6-7,12H2,1H3
InChIKeyRBMJITSIASOQCS-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.01
Rot. Bonds3

About 2-[4-(4-methylphenyl)thiadiazol-5-yl]ethanamine

2-[4-(4-methylphenyl)thiadiazol-5-yl]ethanamine (PubChem CID 96608949) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)thiadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)thiadiazol-5-yl]ethanamine
PubChem CID96608949
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name2-[4-(4-methylphenyl)thiadiazol-5-yl]ethanamine
SMILESCc1ccc(-c2nnsc2CCN)cc1
InChIInChI=1S/C11H13N3S/c1-8-2-4-9(5-3-8)11-10(6-7-12)15-14-13-11/h2-5H,6-7,12H2,1H3
InChIKeyRBMJITSIASOQCS-UHFFFAOYSA-N
XLogP2.01
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4-methylphenyl)thiadiazol-5-yl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

[4-(4-fluoro-3-methylphenyl)thiadiazol-5-yl]methanamine
CID 82391992
4-phenyl-5-[2-(4-phenylthiadiazol-5-yl)ethyl]thiadiazole
CID 639838
2-[4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazol-5-yl]ethanamine
CID 82069461
5-(bromomethyl)-4-phenylthiadiazole
CID 5325800
N-methyl-1-[4-(4-propan-2-ylphenyl)thiadiazol-5-yl]methanamine
CID 65209058
4-(4-chlorophenyl)-5-(4-methylphenyl)sulfanylthiadiazole
CID 3582352
2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]ethanamine;hydrochloride
CID 82022820
methanamine;2-(4-methylphenyl)ethanamine
CID 144589082
N-[(4-pyridin-4-ylthiadiazol-5-yl)methyl]ethanamine
CID 65208946
[4-(3-bromophenyl)thiadiazol-5-yl]methanamine
CID 65209053
4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]thiadiazole-5-carboxamide
CID 100748542
N-[[4-(3,4-difluorophenyl)thiadiazol-5-yl]methyl]ethanamine
CID 65209284

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)thiadiazol-5-yl]ethanamine?
The IUPAC name of 2-[4-(4-methylphenyl)thiadiazol-5-yl]ethanamine (CID 96608949) is 2-[4-(4-methylphenyl)thiadiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-methylphenyl)thiadiazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-(4-methylphenyl)thiadiazol-5-yl]ethanamine is Cc1ccc(-c2nnsc2CCN)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)thiadiazol-5-yl]ethanamine?
The InChIKey is RBMJITSIASOQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-8-2-4-9(5-3-8)11-10(6-7-12)15-14-13-11/h2-5H,6-7,12H2,1H3.
What are the key properties of 2-[4-(4-methylphenyl)thiadiazol-5-yl]ethanamine?
2-[4-(4-methylphenyl)thiadiazol-5-yl]ethanamine has a molecular weight of 219.31 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)thiadiazol-5-yl]ethanamine is sourced from PubChem (CID 96608949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).