2-(2,5-dimethylphenyl)-1-(thiadiazol-5-yl)ethanamine

C12H15N3S — CID 105101119

IUPAC2-(2,5-dimethylphenyl)-1-(thiadiazol-5-yl)ethanamine
SMILESCc1ccc(C)c(CC(N)c2cnns2)c1
InChIInChI=1S/C12H15N3S/c1-8-3-4-9(2)10(5-8)6-11(13)12-7-14-15-16-12/h3-5,7,11H,6,13H2,1-2H3
InChIKeyFSPIETDILJCTIY-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.40
Rot. Bonds3

About 2-(2,5-dimethylphenyl)-1-(thiadiazol-5-yl)ethanamine

2-(2,5-dimethylphenyl)-1-(thiadiazol-5-yl)ethanamine (PubChem CID 105101119) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-(thiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-(thiadiazol-5-yl)ethanamine
PubChem CID105101119
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name2-(2,5-dimethylphenyl)-1-(thiadiazol-5-yl)ethanamine
SMILESCc1ccc(C)c(CC(N)c2cnns2)c1
InChIInChI=1S/C12H15N3S/c1-8-3-4-9(2)10(5-8)6-11(13)12-7-14-15-16-12/h3-5,7,11H,6,13H2,1-2H3
InChIKeyFSPIETDILJCTIY-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenyl)-1-(thiadiazol-5-yl)ethanamine
CID 105091271
1-(4,5-dibromothiophen-2-yl)-2-(2,5-dimethylphenyl)ethanamine
CID 80533040
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanamine
CID 105171790
2-(2-fluoro-3-methoxyphenyl)-1-(thiadiazol-5-yl)ethanamine
CID 105180643
2-(2,5-dimethylphenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 63527279
2-(2,5-dimethylphenyl)-1-(5-methoxy-3-pyridinyl)ethanamine
CID 105026220
2-(3-chloro-2-fluorophenyl)-1-(thiadiazol-5-yl)ethanamine
CID 102866724
1-(2,5-dimethylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105120600
1-(2,3-dimethylphenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 62538026
(3-methylphenyl)-(thiadiazol-5-yl)methanamine
CID 105090729
2-[1-(2,5-dimethylphenyl)propan-2-yl]propane-1,3-diamine
CID 83928106
1-(2,4-difluoro-5-methylphenyl)-2-(2,5-dimethylphenyl)ethanamine
CID 79724685

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-(thiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-(thiadiazol-5-yl)ethanamine (CID 105101119) is 2-(2,5-dimethylphenyl)-1-(thiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-(thiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-(thiadiazol-5-yl)ethanamine is Cc1ccc(C)c(CC(N)c2cnns2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-(thiadiazol-5-yl)ethanamine?
The InChIKey is FSPIETDILJCTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-8-3-4-9(2)10(5-8)6-11(13)12-7-14-15-16-12/h3-5,7,11H,6,13H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-(thiadiazol-5-yl)ethanamine?
2-(2,5-dimethylphenyl)-1-(thiadiazol-5-yl)ethanamine has a molecular weight of 233.34 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1-(thiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105101119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).