1-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine

C13H16N2OS2 — CID 64650382

IUPAC1-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
SMILESCOc1ccc(C(N)CSc2nc(C)cs2)cc1
InChIInChI=1S/C13H16N2OS2/c1-9-7-17-13(15-9)18-8-12(14)10-3-5-11(16-2)6-4-10/h3-7,12H,8,14H2,1-2H3
InChIKeyNUPWDAOVQCTYPF-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.25
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine

1-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine (PubChem CID 64650382) has the molecular formula C13H16N2OS2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
PubChem CID64650382
Molecular FormulaC13H16N2OS2
Molecular Weight280.42 g/mol
Exact Mass280.07
IUPAC Name1-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
SMILESCOc1ccc(C(N)CSc2nc(C)cs2)cc1
InChIInChI=1S/C13H16N2OS2/c1-9-7-17-13(15-9)18-8-12(14)10-3-5-11(16-2)6-4-10/h3-7,12H,8,14H2,1-2H3
InChIKeyNUPWDAOVQCTYPF-UHFFFAOYSA-N
XLogP3.25
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
CID 64648622
1-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
CID 64648813
1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
CID 64649606
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)ethanamine
CID 64632910
1-(4-aminophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol
CID 62266989
1-(4-ethoxyphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol
CID 75858434
1-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol
CID 43188142
5-(4-methoxyphenyl)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 31530857
1-(4-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol
CID 110884759
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanamine
CID 64619722
(1R)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 81370935
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 55960096

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine (CID 64650382) is 1-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine is COc1ccc(C(N)CSc2nc(C)cs2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine?
The InChIKey is NUPWDAOVQCTYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS2/c1-9-7-17-13(15-9)18-8-12(14)10-3-5-11(16-2)6-4-10/h3-7,12H,8,14H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine?
1-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine has a molecular weight of 280.42 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine is sourced from PubChem (CID 64650382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).