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

C14H18N2O2S — CID 78923564

IUPACN-[(2,5-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cscn1)c1cc(OC)ccc1OC
InChIInChI=1S/C14H18N2O2S/c1-4-15-14(12-8-19-9-16-12)11-7-10(17-2)5-6-13(11)18-3/h5-9,14-15H,4H2,1-3H3
InChIKeyYREURZCLRBYJDA-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.86
Rot. Bonds6

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

N-[(2,5-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 78923564) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID78923564
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-[(2,5-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cscn1)c1cc(OC)ccc1OC
InChIInChI=1S/C14H18N2O2S/c1-4-15-14(12-8-19-9-16-12)11-7-10(17-2)5-6-13(11)18-3/h5-9,14-15H,4H2,1-3H3
InChIKeyYREURZCLRBYJDA-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-[(2,4-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine
CID 78923601
N-[(2,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107975141
N-[(2,5-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 115827374
N-[(2,5-dimethoxyphenyl)-(2-iodophenyl)methyl]ethanamine
CID 43489510
1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43489494
N-[(2,5-dimethoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 105145779
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43489495
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxybutan-1-amine
CID 116715821
N-[(5-fluoro-2-methoxyphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 82769634
N-[(5-fluoro-2-methoxyphenyl)-(thiadiazol-4-yl)methyl]ethanamine
CID 105176560
N-[(2-bromo-5-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 105093219
N-[cyclopentyl-(2,5-dimethoxyphenyl)methyl]ethanamine
CID 43489527

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine (CID 78923564) is N-[(2,5-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine is CCNC(c1cscn1)c1cc(OC)ccc1OC.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is YREURZCLRBYJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-4-15-14(12-8-19-9-16-12)11-7-10(17-2)5-6-13(11)18-3/h5-9,14-15H,4H2,1-3H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine?
N-[(2,5-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-[(2,5-dimethoxyphenyl)-(1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 78923564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).