2-[2-(3,4-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-amine

C16H22N2O2S — CID 82430183

IUPAC2-[2-(3,4-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-amine
SMILESCCc1nc(-c2ccc(OC)c(OC)c2)sc1C(C)(C)N
InChIInChI=1S/C16H22N2O2S/c1-6-11-14(16(2,3)17)21-15(18-11)10-7-8-12(19-4)13(9-10)20-5/h7-9H,6,17H2,1-5H3
InChIKeyHLHMMSJTIUAFKP-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.58
Rot. Bonds5

About 2-[2-(3,4-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-amine

2-[2-(3,4-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 82430183) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-amine
PubChem CID82430183
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name2-[2-(3,4-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-amine
SMILESCCc1nc(-c2ccc(OC)c(OC)c2)sc1C(C)(C)N
InChIInChI=1S/C16H22N2O2S/c1-6-11-14(16(2,3)17)21-15(18-11)10-7-8-12(19-4)13(9-10)20-5/h7-9H,6,17H2,1-5H3
InChIKeyHLHMMSJTIUAFKP-UHFFFAOYSA-N
XLogP3.58
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-ethyl-2-(4-methoxyphenyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82430074
2-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82428618
2-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82430111
2-[2-(4-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82427189
[2-(3-ethoxy-4-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanethiol
CID 82430204
[2-(4-ethoxy-3-methoxyphenyl)-5-ethyl-1,3-thiazol-4-yl]methanol
CID 117099049
4-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 82430197
[2-(3,4-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441267
[4-tert-butyl-2-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 82439229
2-[2-(2-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82432590
[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methanol
CID 117098981
2-[4-(methoxymethyl)-2-phenyl-1,3-thiazol-5-yl]propan-2-amine
CID 82440030

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-amine (CID 82430183) is 2-[2-(3,4-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-amine is CCc1nc(-c2ccc(OC)c(OC)c2)sc1C(C)(C)N.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is HLHMMSJTIUAFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-6-11-14(16(2,3)17)21-15(18-11)10-7-8-12(19-4)13(9-10)20-5/h7-9H,6,17H2,1-5H3.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-amine?
2-[2-(3,4-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 306.43 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 82430183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).