1-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine

C18H25N3O2S — CID 119918228

IUPAC1-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine
SMILESCNC1CCCN(Cc2csc(-c3cccc(OC)c3OC)n2)C1
InChIInChI=1S/C18H25N3O2S/c1-19-13-6-5-9-21(10-13)11-14-12-24-18(20-14)15-7-4-8-16(22-2)17(15)23-3/h4,7-8,12-13,19H,5-6,9-11H2,1-3H3
InChIKeyBFWHFWRDTSUGLY-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.01
Rot. Bonds6

About 1-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine

1-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine (PubChem CID 119918228) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 1-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine
PubChem CID119918228
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name1-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine
SMILESCNC1CCCN(Cc2csc(-c3cccc(OC)c3OC)n2)C1
InChIInChI=1S/C18H25N3O2S/c1-19-13-6-5-9-21(10-13)11-14-12-24-18(20-14)15-7-4-8-16(22-2)17(15)23-3/h4,7-8,12-13,19H,5-6,9-11H2,1-3H3
InChIKeyBFWHFWRDTSUGLY-UHFFFAOYSA-N
XLogP3.01
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine
CID 119918222
ethyl (3S)-1-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylate
CID 39981170
2-(2,3-dimethoxyphenyl)-4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 112801377
N-methyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidin-3-amine
CID 120913071
1-[(2,3-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 113281872
2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 145341916
(2R,5R)-4-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,5-dimethylmorpholine
CID 95160165
N-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 62545261
N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 60672836
N-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride
CID 119918423
4-(azocan-1-ylmethyl)-2-[3-(2,3,4-trimethoxyphenyl)phenyl]-1,3-thiazole
CID 46100892
N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2,3-dimethylcyclohexan-1-amine
CID 112796571

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine?
The IUPAC name of 1-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine (CID 119918228) is 1-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine?
The canonical SMILES for 1-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine is CNC1CCCN(Cc2csc(-c3cccc(OC)c3OC)n2)C1.
What is the InChIKey of 1-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine?
The InChIKey is BFWHFWRDTSUGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-19-13-6-5-9-21(10-13)11-14-12-24-18(20-14)15-7-4-8-16(22-2)17(15)23-3/h4,7-8,12-13,19H,5-6,9-11H2,1-3H3.
What are the key properties of 1-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine?
1-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine has a molecular weight of 347.48 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 119918228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).