2-(3-methylphenyl)-1-(thiadiazol-5-yl)ethanamine

C11H13N3S — CID 105091271

IUPAC2-(3-methylphenyl)-1-(thiadiazol-5-yl)ethanamine
SMILESCc1cccc(CC(N)c2cnns2)c1
InChIInChI=1S/C11H13N3S/c1-8-3-2-4-9(5-8)6-10(12)11-7-13-14-15-11/h2-5,7,10H,6,12H2,1H3
InChIKeyLKRYFXUYBXBDHA-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.09
Rot. Bonds3

About 2-(3-methylphenyl)-1-(thiadiazol-5-yl)ethanamine

2-(3-methylphenyl)-1-(thiadiazol-5-yl)ethanamine (PubChem CID 105091271) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-(thiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-(thiadiazol-5-yl)ethanamine
PubChem CID105091271
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name2-(3-methylphenyl)-1-(thiadiazol-5-yl)ethanamine
SMILESCc1cccc(CC(N)c2cnns2)c1
InChIInChI=1S/C11H13N3S/c1-8-3-2-4-9(5-8)6-10(12)11-7-13-14-15-11/h2-5,7,10H,6,12H2,1H3
InChIKeyLKRYFXUYBXBDHA-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylphenyl)-1-(thiadiazol-5-yl)ethanamine
CID 105101119
2-(4-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine
CID 105087109
1-(5-bromothiophen-3-yl)-2-(3-methylphenyl)ethanamine
CID 105091201
2-(3-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 62388506
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanamine
CID 105171790
1-(3-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 113460856
2-(3-bromo-5-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine
CID 105169436
2-(3-chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine
CID 102866724
2-(3-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65363066
1-(3-bromothiophen-2-yl)-2-(3-methylphenyl)ethanamine
CID 63798481
1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine
CID 54945902
1-(2-bromo-5-methylphenyl)-2-(3-methylphenyl)ethanamine
CID 81111638

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-(thiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(3-methylphenyl)-1-(thiadiazol-5-yl)ethanamine (CID 105091271) is 2-(3-methylphenyl)-1-(thiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3-methylphenyl)-1-(thiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(3-methylphenyl)-1-(thiadiazol-5-yl)ethanamine is Cc1cccc(CC(N)c2cnns2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-(thiadiazol-5-yl)ethanamine?
The InChIKey is LKRYFXUYBXBDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-8-3-2-4-9(5-8)6-10(12)11-7-13-14-15-11/h2-5,7,10H,6,12H2,1H3.
What are the key properties of 2-(3-methylphenyl)-1-(thiadiazol-5-yl)ethanamine?
2-(3-methylphenyl)-1-(thiadiazol-5-yl)ethanamine has a molecular weight of 219.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-(thiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105091271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).