(4-ethylthiadiazol-5-yl)-(3-methylphenyl)methanamine

C12H15N3S — CID 105090458

IUPAC(4-ethylthiadiazol-5-yl)-(3-methylphenyl)methanamine
SMILESCCc1nnsc1C(N)c1cccc(C)c1
InChIInChI=1S/C12H15N3S/c1-3-10-12(16-15-14-10)11(13)9-6-4-5-8(2)7-9/h4-7,11H,3,13H2,1-2H3
InChIKeyMRJAZRUYUJRUFH-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.46
Rot. Bonds3

About (4-ethylthiadiazol-5-yl)-(3-methylphenyl)methanamine

(4-ethylthiadiazol-5-yl)-(3-methylphenyl)methanamine (PubChem CID 105090458) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-(3-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-(3-methylphenyl)methanamine
PubChem CID105090458
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name(4-ethylthiadiazol-5-yl)-(3-methylphenyl)methanamine
SMILESCCc1nnsc1C(N)c1cccc(C)c1
InChIInChI=1S/C12H15N3S/c1-3-10-12(16-15-14-10)11(13)9-6-4-5-8(2)7-9/h4-7,11H,3,13H2,1-2H3
InChIKeyMRJAZRUYUJRUFH-UHFFFAOYSA-N
XLogP2.46
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-ethylthiadiazol-5-yl)-(3-methylphenyl)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

1-(4-ethylthiadiazol-5-yl)-2-(3-methylphenyl)ethanol
CID 105077964
[(3-methylphenyl)-(4-propylthiadiazol-5-yl)methyl]hydrazine
CID 105284851
2,3-dihydro-1,4-benzodioxin-6-yl-(4-ethylthiadiazol-5-yl)methanamine
CID 105141062
(4-ethylthiadiazol-5-yl)-(3-propylphenyl)methanol
CID 105131044
(3-methylphenyl)-(thiadiazol-5-yl)methanamine
CID 105090729
(3-methylphenyl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105090551
1-(3,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105096803
(4-ethylthiadiazol-5-yl)-[3-(2-methylpropyl)phenyl]methanol
CID 105131171
(4-ethylthiadiazol-5-yl)-[2-(trifluoromethyl)phenyl]methanamine
CID 105145381
N-[(3-methylphenyl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105090650
(3,4-dimethoxyphenyl)-(4-propylthiadiazol-5-yl)methanamine
CID 105141276
(3-methylphenyl)methanediamine;dihydrochloride
CID 67649251

Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-(3-methylphenyl)methanamine?
The IUPAC name of (4-ethylthiadiazol-5-yl)-(3-methylphenyl)methanamine (CID 105090458) is (4-ethylthiadiazol-5-yl)-(3-methylphenyl)methanamine.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-(3-methylphenyl)methanamine?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-(3-methylphenyl)methanamine is CCc1nnsc1C(N)c1cccc(C)c1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-(3-methylphenyl)methanamine?
The InChIKey is MRJAZRUYUJRUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-3-10-12(16-15-14-10)11(13)9-6-4-5-8(2)7-9/h4-7,11H,3,13H2,1-2H3.
What are the key properties of (4-ethylthiadiazol-5-yl)-(3-methylphenyl)methanamine?
(4-ethylthiadiazol-5-yl)-(3-methylphenyl)methanamine has a molecular weight of 233.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-(3-methylphenyl)methanamine is sourced from PubChem (CID 105090458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).