1-(2,5-dimethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine

C13H16N2O2S2 — CID 64628304

IUPAC1-(2,5-dimethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
SMILESCOc1ccc(OC)c(C(N)CSc2nccs2)c1
InChIInChI=1S/C13H16N2O2S2/c1-16-9-3-4-12(17-2)10(7-9)11(14)8-19-13-15-5-6-18-13/h3-7,11H,8,14H2,1-2H3
InChIKeyKTVTYSIQQFAHHV-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.95
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine

1-(2,5-dimethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine (PubChem CID 64628304) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
PubChem CID64628304
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC Name1-(2,5-dimethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
SMILESCOc1ccc(OC)c(C(N)CSc2nccs2)c1
InChIInChI=1S/C13H16N2O2S2/c1-16-9-3-4-12(17-2)10(7-9)11(14)8-19-13-15-5-6-18-13/h3-7,11H,8,14H2,1-2H3
InChIKeyKTVTYSIQQFAHHV-UHFFFAOYSA-N
XLogP2.95
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylethanamine
CID 64647733
1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 64625639
1-(2,5-dimethoxyphenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 104604552
1-(2,4-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
CID 64648622
1-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanamine
CID 64621439
N-[1-(2-methoxy-5-methylphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethyl]propan-1-amine
CID 64627916
1-(2,4-dimethoxyphenyl)-2-thiophen-2-ylsulfanylethanamine
CID 64615696
1-(2,5-dimethoxyphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
CID 106927992
1-(2,5-dimethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 64627526
2-methoxy-5-(1,3-thiazol-2-ylsulfanylmethyl)aniline
CID 61218917
1-(2,5-dimethoxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 82066787
1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
CID 64649606

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine (CID 64628304) is 1-(2,5-dimethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine is COc1ccc(OC)c(C(N)CSc2nccs2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine?
The InChIKey is KTVTYSIQQFAHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-16-9-3-4-12(17-2)10(7-9)11(14)8-19-13-15-5-6-18-13/h3-7,11H,8,14H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine?
1-(2,5-dimethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine has a molecular weight of 296.42 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine is sourced from PubChem (CID 64628304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).