1-[2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine

C16H22N2O2S — CID 82432707

IUPAC1-[2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCCc1nc(-c2cccc(OC)c2OC)sc1CNC
InChIInChI=1S/C16H22N2O2S/c1-5-7-12-14(10-17-2)21-16(18-12)11-8-6-9-13(19-3)15(11)20-4/h6,8-9,17H,5,7,10H2,1-4H3
InChIKeyVDDKYKOXUQDQEO-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.50
Rot. Bonds7

About 1-[2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 82432707) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-[2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID82432707
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name1-[2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCCc1nc(-c2cccc(OC)c2OC)sc1CNC
InChIInChI=1S/C16H22N2O2S/c1-5-7-12-14(10-17-2)21-16(18-12)11-8-6-9-13(19-3)15(11)20-4/h6,8-9,17H,5,7,10H2,1-4H3
InChIKeyVDDKYKOXUQDQEO-UHFFFAOYSA-N
XLogP3.50
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82430165
1-[2-(6-methoxypyridazin-3-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 103375123
2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 145341916
N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 60672836
N-methyl-1-[2-(4-methylphenyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 82431617
1-[4-ethyl-2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 106793145
N-[[2-(4-chloro-2-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 106819798
3-fluoro-4-[5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-yl]phenol
CID 136889756
[4-cyclopropyl-2-(2,3-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 82437353
[2-(2-ethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]methanethiol
CID 82432604
1-[2-(2-fluoro-6-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366048
N-methyl-1-[4-propyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanamine
CID 114363499

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 82432707) is 1-[2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine is CCCc1nc(-c2cccc(OC)c2OC)sc1CNC.
What is the InChIKey of 1-[2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is VDDKYKOXUQDQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-5-7-12-14(10-17-2)21-16(18-12)11-8-6-9-13(19-3)15(11)20-4/h6,8-9,17H,5,7,10H2,1-4H3.
What are the key properties of 1-[2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 306.43 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 82432707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).