[3-(thiatriazol-5-yl)phenyl]methanamine

C8H8N4S — CID 116985710

IUPAC[3-(thiatriazol-5-yl)phenyl]methanamine
SMILESNCc1cccc(-c2nnns2)c1
InChIInChI=1S/C8H8N4S/c9-5-6-2-1-3-7(4-6)8-10-11-12-13-8/h1-4H,5,9H2
InChIKeyTVXUOCXOQZVFPM-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.06
Rot. Bonds2

About [3-(thiatriazol-5-yl)phenyl]methanamine

[3-(thiatriazol-5-yl)phenyl]methanamine (PubChem CID 116985710) has the molecular formula C8H8N4S and a molecular weight of 192.25 g/mol. Its IUPAC name is [3-(thiatriazol-5-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(thiatriazol-5-yl)phenyl]methanamine
PubChem CID116985710
Molecular FormulaC8H8N4S
Molecular Weight192.25 g/mol
Exact Mass192.05
IUPAC Name[3-(thiatriazol-5-yl)phenyl]methanamine
SMILESNCc1cccc(-c2nnns2)c1
InChIInChI=1S/C8H8N4S/c9-5-6-2-1-3-7(4-6)8-10-11-12-13-8/h1-4H,5,9H2
InChIKeyTVXUOCXOQZVFPM-UHFFFAOYSA-N
XLogP1.06
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(thiatriazol-5-yl)phenyl]methanamine 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

[3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 120558534
(3-pyridin-4-ylphenyl)methanamine;dihydrochloride
CID 23086760
[3-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 120558532
[3-(4-propyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 120558535
2-[3-(aminomethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride
CID 52983591
2-[2-[3-(aminomethyl)phenyl]phenyl]aniline
CID 174455966
[3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983736
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
[3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methanamine
CID 82048318
[3-(4-methylphenyl)phenyl]methanamine
CID 1392243
4-amino-2-[3-(aminomethyl)phenyl]phenol;hydrochloride
CID 23514550
[3-(3-propylphenyl)phenyl]methanamine
CID 1392934

Frequently Asked Questions

What is the IUPAC name of [3-(thiatriazol-5-yl)phenyl]methanamine?
The IUPAC name of [3-(thiatriazol-5-yl)phenyl]methanamine (CID 116985710) is [3-(thiatriazol-5-yl)phenyl]methanamine.
What is the SMILES notation for [3-(thiatriazol-5-yl)phenyl]methanamine?
The canonical SMILES for [3-(thiatriazol-5-yl)phenyl]methanamine is NCc1cccc(-c2nnns2)c1.
What is the InChIKey of [3-(thiatriazol-5-yl)phenyl]methanamine?
The InChIKey is TVXUOCXOQZVFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S/c9-5-6-2-1-3-7(4-6)8-10-11-12-13-8/h1-4H,5,9H2.
What are the key properties of [3-(thiatriazol-5-yl)phenyl]methanamine?
[3-(thiatriazol-5-yl)phenyl]methanamine has a molecular weight of 192.25 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(thiatriazol-5-yl)phenyl]methanamine is sourced from PubChem (CID 116985710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).