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

C15H20N2O2S — CID 60640937

IUPACN-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCOc1ccc(-c2nc(CNC(C)C)cs2)cc1OC
InChIInChI=1S/C15H20N2O2S/c1-10(2)16-8-12-9-20-15(17-12)11-5-6-13(18-3)14(7-11)19-4/h5-7,9-10,16H,8H2,1-4H3
InChIKeyMVSYFFFDCXVXDI-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.33
Rot. Bonds6

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

N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine (PubChem CID 60640937) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
PubChem CID60640937
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCOc1ccc(-c2nc(CNC(C)C)cs2)cc1OC
InChIInChI=1S/C15H20N2O2S/c1-10(2)16-8-12-9-20-15(17-12)11-5-6-13(18-3)14(7-11)19-4/h5-7,9-10,16H,8H2,1-4H3
InChIKeyMVSYFFFDCXVXDI-UHFFFAOYSA-N
XLogP3.33
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 112797223
(1S)-1-(3-chlorophenyl)-N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 9307623
N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]cyclooctanamine
CID 8558646
2-(3,4-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 112692422
1-[2-[3-(difluoromethoxy)-4-methoxyphenyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 61282596
N-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 60683168
2-(3,4-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole
CID 112690133
N-[[2-(2-methylquinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 105379278
N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 4826071
[2-[3-methoxy-4-(2-methylpropoxy)phenyl]-1,3-thiazol-4-yl]methanethiol
CID 82515904
N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 17478782
N-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 62096144

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine (CID 60640937) is N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine is COc1ccc(-c2nc(CNC(C)C)cs2)cc1OC.
What is the InChIKey of N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The InChIKey is MVSYFFFDCXVXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-10(2)16-8-12-9-20-15(17-12)11-5-6-13(18-3)14(7-11)19-4/h5-7,9-10,16H,8H2,1-4H3.
What are the key properties of N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine has a molecular weight of 292.40 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 60640937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).