2-(2-methoxyphenyl)-1-(1,2,5-thiadiazol-3-yl)ethanamine

C11H13N3OS — CID 105107532

IUPAC2-(2-methoxyphenyl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
SMILESCOc1ccccc1CC(N)c1cnsn1
InChIInChI=1S/C11H13N3OS/c1-15-11-5-3-2-4-8(11)6-9(12)10-7-13-16-14-10/h2-5,7,9H,6,12H2,1H3
InChIKeyCHRKIEYVVANYEI-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.79
Rot. Bonds4

About 2-(2-methoxyphenyl)-1-(1,2,5-thiadiazol-3-yl)ethanamine

2-(2-methoxyphenyl)-1-(1,2,5-thiadiazol-3-yl)ethanamine (PubChem CID 105107532) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(1,2,5-thiadiazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
PubChem CID105107532
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2-(2-methoxyphenyl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
SMILESCOc1ccccc1CC(N)c1cnsn1
InChIInChI=1S/C11H13N3OS/c1-15-11-5-3-2-4-8(11)6-9(12)10-7-13-16-14-10/h2-5,7,9H,6,12H2,1H3
InChIKeyCHRKIEYVVANYEI-UHFFFAOYSA-N
XLogP1.79
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluoro-3-methoxyphenyl)-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105180632
2-(2-methoxyphenyl)-1-(thiadiazol-4-yl)ethanamine
CID 105107355
1-(5-bromo-2-pyridinyl)-2-(2-methoxyphenyl)ethanamine
CID 113398350
(1R)-1,2-bis(2-methoxyphenyl)ethanamine
CID 40618713
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288
2-(2-methoxyphenyl)-1-pyridin-3-ylethanamine
CID 22299211
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
2-(2-methoxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 65153486
1-(3,6-dimethylpyridazin-4-yl)-2-(2-methoxyphenyl)ethanamine
CID 105107599
2-(2-methoxyphenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 79802123
1-(2-methoxyphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-2-amine
CID 65017713
1-(1,3-benzothiazol-2-yl)-2-(2-methoxyphenyl)ethanamine
CID 43314632

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(1,2,5-thiadiazol-3-yl)ethanamine?
The IUPAC name of 2-(2-methoxyphenyl)-1-(1,2,5-thiadiazol-3-yl)ethanamine (CID 105107532) is 2-(2-methoxyphenyl)-1-(1,2,5-thiadiazol-3-yl)ethanamine.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-(1,2,5-thiadiazol-3-yl)ethanamine?
The canonical SMILES for 2-(2-methoxyphenyl)-1-(1,2,5-thiadiazol-3-yl)ethanamine is COc1ccccc1CC(N)c1cnsn1.
What is the InChIKey of 2-(2-methoxyphenyl)-1-(1,2,5-thiadiazol-3-yl)ethanamine?
The InChIKey is CHRKIEYVVANYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-15-11-5-3-2-4-8(11)6-9(12)10-7-13-16-14-10/h2-5,7,9H,6,12H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-1-(1,2,5-thiadiazol-3-yl)ethanamine?
2-(2-methoxyphenyl)-1-(1,2,5-thiadiazol-3-yl)ethanamine has a molecular weight of 235.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-(1,2,5-thiadiazol-3-yl)ethanamine is sourced from PubChem (CID 105107532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).