1-(4-ethylthiadiazol-5-yl)-2-phenylethanamine

C12H15N3S — CID 105084360

IUPAC1-(4-ethylthiadiazol-5-yl)-2-phenylethanamine
SMILESCCc1nnsc1C(N)Cc1ccccc1
InChIInChI=1S/C12H15N3S/c1-2-11-12(16-15-14-11)10(13)8-9-6-4-3-5-7-9/h3-7,10H,2,8,13H2,1H3
InChIKeyJOIDWTBLVYAHAI-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.34
Rot. Bonds4

About 1-(4-ethylthiadiazol-5-yl)-2-phenylethanamine

1-(4-ethylthiadiazol-5-yl)-2-phenylethanamine (PubChem CID 105084360) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-(4-ethylthiadiazol-5-yl)-2-phenylethanamine.

Molecular Properties

Compound Name1-(4-ethylthiadiazol-5-yl)-2-phenylethanamine
PubChem CID105084360
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name1-(4-ethylthiadiazol-5-yl)-2-phenylethanamine
SMILESCCc1nnsc1C(N)Cc1ccccc1
InChIInChI=1S/C12H15N3S/c1-2-11-12(16-15-14-11)10(13)8-9-6-4-3-5-7-9/h3-7,10H,2,8,13H2,1H3
InChIKeyJOIDWTBLVYAHAI-UHFFFAOYSA-N
XLogP2.34
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-ethylthiadiazol-5-yl)-2-phenylethanamine 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

1-(4-ethylthiadiazol-5-yl)-2-thiophen-3-ylethanamine
CID 105137431
2-(2-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 105087328
2-(3-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 102866349
2-(3-chloro-4-pyridinyl)-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 105157299
1-(4-ethylthiadiazol-5-yl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105167023
1-(4-ethylthiadiazol-5-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107064868
2-cyclopropyl-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 105152733
(4-ethylthiadiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine
CID 105145381
2-(2,6-difluorophenyl)-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105190680
1-(4-ethylthiadiazol-5-yl)-2-(4-iodophenyl)ethanol
CID 105101035
1-(4-ethyl-5-propyl-1H-imidazol-2-yl)-2-phenylethanamine
CID 43650594
1-(3-ethyl-1-methylpyrazol-4-yl)-2-phenylethanamine
CID 102811949

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylthiadiazol-5-yl)-2-phenylethanamine?
The IUPAC name of 1-(4-ethylthiadiazol-5-yl)-2-phenylethanamine (CID 105084360) is 1-(4-ethylthiadiazol-5-yl)-2-phenylethanamine.
What is the SMILES notation for 1-(4-ethylthiadiazol-5-yl)-2-phenylethanamine?
The canonical SMILES for 1-(4-ethylthiadiazol-5-yl)-2-phenylethanamine is CCc1nnsc1C(N)Cc1ccccc1.
What is the InChIKey of 1-(4-ethylthiadiazol-5-yl)-2-phenylethanamine?
The InChIKey is JOIDWTBLVYAHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-2-11-12(16-15-14-11)10(13)8-9-6-4-3-5-7-9/h3-7,10H,2,8,13H2,1H3.
What are the key properties of 1-(4-ethylthiadiazol-5-yl)-2-phenylethanamine?
1-(4-ethylthiadiazol-5-yl)-2-phenylethanamine has a molecular weight of 233.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylthiadiazol-5-yl)-2-phenylethanamine is sourced from PubChem (CID 105084360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).