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

C14H18N2O2S2 — CID 64648622

IUPAC1-(2,4-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
SMILESCOc1ccc(C(N)CSc2nc(C)cs2)c(OC)c1
InChIInChI=1S/C14H18N2O2S2/c1-9-7-19-14(16-9)20-8-12(15)11-5-4-10(17-2)6-13(11)18-3/h4-7,12H,8,15H2,1-3H3
InChIKeyWIAPVFGWWKRPAM-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.26
Rot. Bonds6

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

1-(2,4-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine (PubChem CID 64648622) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
PubChem CID64648622
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name1-(2,4-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
SMILESCOc1ccc(C(N)CSc2nc(C)cs2)c(OC)c1
InChIInChI=1S/C14H18N2O2S2/c1-9-7-19-14(16-9)20-8-12(15)11-5-4-10(17-2)6-13(11)18-3/h4-7,12H,8,15H2,1-3H3
InChIKeyWIAPVFGWWKRPAM-UHFFFAOYSA-N
XLogP3.26
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
CID 64650382
1-(2-methoxy-5-methylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
CID 64649606
1-(2,4-dimethoxyphenyl)-2-thiophen-2-ylsulfanylethanamine
CID 64615696
1-(2,4-dimethoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 105019863
1-(2,5-dimethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 64628304
(1R)-1-[4-methoxy-2-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanamine
CID 82000081
1-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
CID 64648813
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
2-chloro-1-(2,4-dimethoxyphenyl)ethanamine
CID 116937529
4-amino-4-(2,4-dimethoxyphenyl)butan-2-one
CID 116940526
(1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171201093

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine (CID 64648622) is 1-(2,4-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine is COc1ccc(C(N)CSc2nc(C)cs2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine?
The InChIKey is WIAPVFGWWKRPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-9-7-19-14(16-9)20-8-12(15)11-5-4-10(17-2)6-13(11)18-3/h4-7,12H,8,15H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine?
1-(2,4-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine has a molecular weight of 310.44 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine is sourced from PubChem (CID 64648622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).