2-[4-(2,4-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine

C16H22N2O2S — CID 4011039

IUPAC2-[4-(2,4-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCCOc1ccc(-c2csc(CCNC)n2)c(OCC)c1
InChIInChI=1S/C16H22N2O2S/c1-4-19-12-6-7-13(15(10-12)20-5-2)14-11-21-16(18-14)8-9-17-3/h6-7,10-11,17H,4-5,8-9H2,1-3H3
InChIKeyOVAALMHADFZPEX-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.37
Rot. Bonds8

About 2-[4-(2,4-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine

2-[4-(2,4-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine (PubChem CID 4011039) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-[4-(2,4-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(2,4-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
PubChem CID4011039
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name2-[4-(2,4-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
SMILESCCOc1ccc(-c2csc(CCNC)n2)c(OCC)c1
InChIInChI=1S/C16H22N2O2S/c1-4-19-12-6-7-13(15(10-12)20-5-2)14-11-21-16(18-14)8-9-17-3/h6-7,10-11,17H,4-5,8-9H2,1-3H3
InChIKeyOVAALMHADFZPEX-UHFFFAOYSA-N
XLogP3.37
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 5182552
2-[4-(4-ethoxy-2-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3920686
N-[2-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
CID 82103175
2-[4-(4,5-dimethyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4536558
2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride
CID 120558486
1-[4-(4-ethoxy-2,5-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4309550
2-[4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 82496673
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 82966778
2-[4-(3-ethyl-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3893486
1-[4-(4-tert-butyl-2,5-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 3570184
2-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3312423
N-[[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62543860

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
The IUPAC name of 2-[4-(2,4-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine (CID 4011039) is 2-[4-(2,4-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(2,4-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-(2,4-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine is CCOc1ccc(-c2csc(CCNC)n2)c(OCC)c1.
What is the InChIKey of 2-[4-(2,4-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
The InChIKey is OVAALMHADFZPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-4-19-12-6-7-13(15(10-12)20-5-2)14-11-21-16(18-14)8-9-17-3/h6-7,10-11,17H,4-5,8-9H2,1-3H3.
What are the key properties of 2-[4-(2,4-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine?
2-[4-(2,4-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine has a molecular weight of 306.43 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine is sourced from PubChem (CID 4011039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).