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

C15H19ClN2O2S — CID 104841189

IUPAC1-[2-(3-chloro-4,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCc1nc(-c2cc(Cl)c(OC)c(OC)c2)sc1CNC
InChIInChI=1S/C15H19ClN2O2S/c1-5-11-13(8-17-2)21-15(18-11)9-6-10(16)14(20-4)12(7-9)19-3/h6-7,17H,5,8H2,1-4H3
InChIKeyYSDHZZPCZIJXFF-UHFFFAOYSA-N
MW326.85 g/mol
LogP3.76
Rot. Bonds6

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

1-[2-(3-chloro-4,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 104841189) has the molecular formula C15H19ClN2O2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 1-[2-(3-chloro-4,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-chloro-4,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID104841189
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name1-[2-(3-chloro-4,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCc1nc(-c2cc(Cl)c(OC)c(OC)c2)sc1CNC
InChIInChI=1S/C15H19ClN2O2S/c1-5-11-13(8-17-2)21-15(18-11)9-6-10(16)14(20-4)12(7-9)19-3/h6-7,17H,5,8H2,1-4H3
InChIKeyYSDHZZPCZIJXFF-UHFFFAOYSA-N
XLogP3.76
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 103399663
1-[2-(3,5-difluorophenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841167
1-[4-ethyl-2-(2-methoxy-4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 106793145
4-[4-ethyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]benzene-1,2-diol
CID 136889255
1-[2-(3-chloro-4,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 61289017
1-[2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82430165
1-[4-ethyl-2-(3-fluoro-4-methylphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841103
1-[4-ethyl-2-(4-propoxyphenyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82430102
1-[2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82432707
1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 104841101
2-(3-chloro-4,5-dimethoxyphenyl)-4-(methoxymethyl)-1,3-thiazole
CID 107511912
[2-(3-ethoxy-4-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanethiol
CID 82430204

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-4,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-chloro-4,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 104841189) is 1-[2-(3-chloro-4,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-chloro-4,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-chloro-4,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine is CCc1nc(-c2cc(Cl)c(OC)c(OC)c2)sc1CNC.
What is the InChIKey of 1-[2-(3-chloro-4,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is YSDHZZPCZIJXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c1-5-11-13(8-17-2)21-15(18-11)9-6-10(16)14(20-4)12(7-9)19-3/h6-7,17H,5,8H2,1-4H3.
What are the key properties of 1-[2-(3-chloro-4,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(3-chloro-4,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 326.85 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-4,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 104841189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).