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

C14H18N2O2S — CID 78923601

IUPACN-[(2,4-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cscn1)c1ccc(OC)cc1OC
InChIInChI=1S/C14H18N2O2S/c1-4-15-14(12-8-19-9-16-12)11-6-5-10(17-2)7-13(11)18-3/h5-9,14-15H,4H2,1-3H3
InChIKeyWMBDHPCFULHKHB-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.86
Rot. Bonds6

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

N-[(2,4-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 78923601) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID78923601
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-[(2,4-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cscn1)c1ccc(OC)cc1OC
InChIInChI=1S/C14H18N2O2S/c1-4-15-14(12-8-19-9-16-12)11-6-5-10(17-2)7-13(11)18-3/h5-9,14-15H,4H2,1-3H3
InChIKeyWMBDHPCFULHKHB-UHFFFAOYSA-N
XLogP2.86
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,5-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine
CID 78923564
N-[(2,4-dimethoxyphenyl)-(1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 65360353
N-[(2,4-dimethoxyphenyl)-(5-methylthiophen-2-yl)methyl]ethanamine
CID 43488164
1-(2,4-dimethoxyphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
CID 63831507
N-[(2,4-dimethoxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]ethanamine
CID 105145170
N-[(5-bromothiophen-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43490698
N-[(3-chloro-2-pyridinyl)-(2,4-dimethoxyphenyl)methyl]ethanamine
CID 103444648
N-[(2,5-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 115827374
N-[(2,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 43490696
N-[(5-bromofuran-2-yl)-(2,4-dimethoxyphenyl)methyl]ethanamine
CID 43490697
N-[(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107975141
N-[(2,4-dimethoxyphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
CID 79809112

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine (CID 78923601) is N-[(2,4-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine is CCNC(c1cscn1)c1ccc(OC)cc1OC.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is WMBDHPCFULHKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-4-15-14(12-8-19-9-16-12)11-6-5-10(17-2)7-13(11)18-3/h5-9,14-15H,4H2,1-3H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine?
N-[(2,4-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine has a molecular weight of 278.38 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 78923601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).