1-(2,5-dimethoxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine

C14H18N2O2S — CID 82066787

IUPAC1-(2,5-dimethoxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCOc1ccc(OC)c(C(N)Cc2ncc(C)s2)c1
InChIInChI=1S/C14H18N2O2S/c1-9-8-16-14(19-9)7-12(15)11-6-10(17-2)4-5-13(11)18-3/h4-6,8,12H,7,15H2,1-3H3
InChIKeyVVHRBJMCMNPUMP-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.71
Rot. Bonds5

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

1-(2,5-dimethoxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 82066787) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID82066787
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name1-(2,5-dimethoxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCOc1ccc(OC)c(C(N)Cc2ncc(C)s2)c1
InChIInChI=1S/C14H18N2O2S/c1-9-8-16-14(19-9)7-12(15)11-6-10(17-2)4-5-13(11)18-3/h4-6,8,12H,7,15H2,1-3H3
InChIKeyVVHRBJMCMNPUMP-UHFFFAOYSA-N
XLogP2.71
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786252
(2,5-dimethoxyphenyl)-(2-methyl-1,3-thiazol-5-yl)methanamine
CID 113223365
1-(2,4-dimethoxyphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 105019863
1-(2,5-dimethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822910
(1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171219764
1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine
CID 62801010
1-(2,5-dimethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 64628304
1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932428
1-(2,5-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 86262898
(2,5-dimethoxyphenyl)-(2-methylthiophen-3-yl)methanamine
CID 102842057
1-(2,5-dimethoxyphenyl)-4-methylpentane-1,4-diamine
CID 116934724
2-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-1-ethyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine;hydroiodide
CID 111986712

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine (CID 82066787) is 1-(2,5-dimethoxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine is COc1ccc(OC)c(C(N)Cc2ncc(C)s2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is VVHRBJMCMNPUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-9-8-16-14(19-9)7-12(15)11-6-10(17-2)4-5-13(11)18-3/h4-6,8,12H,7,15H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine?
1-(2,5-dimethoxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 278.38 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-(5-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 82066787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).