2-(ethoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline

C14H18N2OS — CID 64993290

IUPAC2-(ethoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
SMILESCCOCc1ccccc1NC(C)c1nccs1
InChIInChI=1S/C14H18N2OS/c1-3-17-10-12-6-4-5-7-13(12)16-11(2)14-15-8-9-18-14/h4-9,11,16H,3,10H2,1-2H3
InChIKeyBVGUOZCXEDBULX-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.85
Rot. Bonds6

About 2-(ethoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline

2-(ethoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline (PubChem CID 64993290) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-(ethoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-(ethoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
PubChem CID64993290
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name2-(ethoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
SMILESCCOCc1ccccc1NC(C)c1nccs1
InChIInChI=1S/C14H18N2OS/c1-3-17-10-12-6-4-5-7-13(12)16-11(2)14-15-8-9-18-14/h4-9,11,16H,3,10H2,1-2H3
InChIKeyBVGUOZCXEDBULX-UHFFFAOYSA-N
XLogP3.85
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]acetamide
CID 64993085
2-fluoro-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]aniline
CID 96824348
1-[cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[2-(ethoxymethyl)phenyl]urea
CID 71992541
2-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988333
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(ethoxymethyl)aniline
CID 43750243
2-prop-2-enylsulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64992944
N-[2-(2-methylphenyl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 79763407
3-bromo-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 115928704
2-(ethoxymethyl)-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43750446
2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]benzenesulfonamide
CID 64993195
N-[2-methyl-3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]propanamide
CID 64993033
4-phenyl-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993028

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The IUPAC name of 2-(ethoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline (CID 64993290) is 2-(ethoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline.
What is the SMILES notation for 2-(ethoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The canonical SMILES for 2-(ethoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline is CCOCc1ccccc1NC(C)c1nccs1.
What is the InChIKey of 2-(ethoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
The InChIKey is BVGUOZCXEDBULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-3-17-10-12-6-4-5-7-13(12)16-11(2)14-15-8-9-18-14/h4-9,11,16H,3,10H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline?
2-(ethoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline has a molecular weight of 262.38 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline is sourced from PubChem (CID 64993290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).