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

C15H19ClN2O2S — CID 61289017

IUPAC1-[2-(3-chloro-4,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1sc(-c2cc(Cl)c(OC)c(OC)c2)nc1C
InChIInChI=1S/C15H19ClN2O2S/c1-8(17-3)14-9(2)18-15(21-14)10-6-11(16)13(20-5)12(7-10)19-4/h6-8,17H,1-5H3
InChIKeySHSCPSHSOBPAPD-UHFFFAOYSA-N
MW326.85 g/mol
LogP4.07
Rot. Bonds5

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

1-[2-(3-chloro-4,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 61289017) 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-methyl-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(3-chloro-4,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID61289017
Molecular FormulaC15H19ClN2O2S
Molecular Weight326.85 g/mol
Exact Mass326.09
IUPAC Name1-[2-(3-chloro-4,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1sc(-c2cc(Cl)c(OC)c(OC)c2)nc1C
InChIInChI=1S/C15H19ClN2O2S/c1-8(17-3)14-9(2)18-15(21-14)10-6-11(16)13(20-5)12(7-10)19-4/h6-8,17H,1-5H3
InChIKeySHSCPSHSOBPAPD-UHFFFAOYSA-N
XLogP4.07
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(3-chloro-4,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-4,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(3-chloro-4,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (CID 61289017) is 1-[2-(3-chloro-4,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(3-chloro-4,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(3-chloro-4,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine is CNC(C)c1sc(-c2cc(Cl)c(OC)c(OC)c2)nc1C.
What is the InChIKey of 1-[2-(3-chloro-4,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is SHSCPSHSOBPAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2S/c1-8(17-3)14-9(2)18-15(21-14)10-6-11(16)13(20-5)12(7-10)19-4/h6-8,17H,1-5H3.
What are the key properties of 1-[2-(3-chloro-4,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
1-[2-(3-chloro-4,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 326.85 g/mol, XLogP of 4.07, 5 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-methyl-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 61289017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).