(4-methylthiadiazol-5-yl)-phenylmethanamine

C10H11N3S — CID 105084242

IUPAC(4-methylthiadiazol-5-yl)-phenylmethanamine
SMILESCc1nnsc1C(N)c1ccccc1
InChIInChI=1S/C10H11N3S/c1-7-10(14-13-12-7)9(11)8-5-3-2-4-6-8/h2-6,9H,11H2,1H3
InChIKeyWCCNYUMYOAWMAK-UHFFFAOYSA-N
MW205.29 g/mol
LogP1.89
Rot. Bonds2

About (4-methylthiadiazol-5-yl)-phenylmethanamine

(4-methylthiadiazol-5-yl)-phenylmethanamine (PubChem CID 105084242) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)-phenylmethanamine.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)-phenylmethanamine
PubChem CID105084242
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name(4-methylthiadiazol-5-yl)-phenylmethanamine
SMILESCc1nnsc1C(N)c1ccccc1
InChIInChI=1S/C10H11N3S/c1-7-10(14-13-12-7)9(11)8-5-3-2-4-6-8/h2-6,9H,11H2,1H3
InChIKeyWCCNYUMYOAWMAK-UHFFFAOYSA-N
XLogP1.89
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-methylthiadiazol-5-yl)-phenylmethanamine 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-fluorophenyl)-(4-methylthiadiazol-5-yl)methanamine
CID 105088292
(4-methoxyphenyl)-(4-methylthiadiazol-5-yl)methanamine
CID 105095522
(2,6-difluorophenyl)-(4-methylthiadiazol-5-yl)methanamine
CID 105149466
(S)-(4-methyl-1,3-thiazol-5-yl)-phenylmethanamine
CID 10130445
(4-methylthiadiazol-5-yl)-(2-propylpyrazol-3-yl)methanamine
CID 105148203
[1-(4-methylthiadiazol-5-yl)-2-phenylethyl]hydrazine
CID 105283044
(1-methylimidazol-4-yl)-(4-methylthiadiazol-5-yl)methanamine
CID 130509742
diphenylmethanamine;methanethiol
CID 143873840
(2-methoxy-3,4-dimethylphenyl)-(4-methylthiadiazol-5-yl)methanamine
CID 103435543
(4-ethylthiadiazol-5-yl)-(3-methylphenyl)methanamine
CID 105090458
(4-methylthiadiazol-5-yl)-(2H-tetrazol-5-yl)methanamine
CID 130934463
(S)-phenyl-(4-propan-2-ylphenyl)methanamine;hydrochloride
CID 175772829

Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)-phenylmethanamine?
The IUPAC name of (4-methylthiadiazol-5-yl)-phenylmethanamine (CID 105084242) is (4-methylthiadiazol-5-yl)-phenylmethanamine.
What is the SMILES notation for (4-methylthiadiazol-5-yl)-phenylmethanamine?
The canonical SMILES for (4-methylthiadiazol-5-yl)-phenylmethanamine is Cc1nnsc1C(N)c1ccccc1.
What is the InChIKey of (4-methylthiadiazol-5-yl)-phenylmethanamine?
The InChIKey is WCCNYUMYOAWMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-7-10(14-13-12-7)9(11)8-5-3-2-4-6-8/h2-6,9H,11H2,1H3.
What are the key properties of (4-methylthiadiazol-5-yl)-phenylmethanamine?
(4-methylthiadiazol-5-yl)-phenylmethanamine has a molecular weight of 205.29 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)-phenylmethanamine is sourced from PubChem (CID 105084242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).