2-ethoxy-N-methyl-N-(1,3-thiazol-5-ylmethyl)aniline

C13H16N2OS — CID 86804525

IUPAC2-ethoxy-N-methyl-N-(1,3-thiazol-5-ylmethyl)aniline
SMILESCCOc1ccccc1N(C)Cc1cncs1
InChIInChI=1S/C13H16N2OS/c1-3-16-13-7-5-4-6-12(13)15(2)9-11-8-14-10-17-11/h4-8,10H,3,9H2,1-2H3
InChIKeyQYGZSXUFYULLCW-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.18
Rot. Bonds5

About 2-ethoxy-N-methyl-N-(1,3-thiazol-5-ylmethyl)aniline

2-ethoxy-N-methyl-N-(1,3-thiazol-5-ylmethyl)aniline (PubChem CID 86804525) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-ethoxy-N-methyl-N-(1,3-thiazol-5-ylmethyl)aniline.

Molecular Properties

Compound Name2-ethoxy-N-methyl-N-(1,3-thiazol-5-ylmethyl)aniline
PubChem CID86804525
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-ethoxy-N-methyl-N-(1,3-thiazol-5-ylmethyl)aniline
SMILESCCOc1ccccc1N(C)Cc1cncs1
InChIInChI=1S/C13H16N2OS/c1-3-16-13-7-5-4-6-12(13)15(2)9-11-8-14-10-17-11/h4-8,10H,3,9H2,1-2H3
InChIKeyQYGZSXUFYULLCW-UHFFFAOYSA-N
XLogP3.18
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-{4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl}acetamide
CID 1484583
N-{2-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl}acetamide
CID 1490230
Piperazine, 1-(2-methoxyphenyl)-4-(2-(4-methyl-5-thiazolyl)ethyl)-, trihydrochloride
CID 3021502
4-Methoxyphenyl 5-[(4-phenylpiperazino)methyl]-1,3-thiazol-2-yl ether
CID 1482772
Piperazine, 1-(2-ethoxyphenyl)-4-(2-((4-methyl-5-thiazolyl)oxy)ethyl)-, trihydrochloride
CID 3078056
Piperazine, 1-(2-methoxyphenyl)-4-(2-((4-methyl-5-thiazolyl)oxy)ethyl)-, trihydrochloride
CID 3078062
Piperazine, 1-(2-((4-methyl-5-thiazolyl)oxy)ethyl)-4-(2-propoxyphenyl)-, monohydrochloride
CID 3078074
N-methyl-N-[4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methanesulfonamide
CID 72026155
N-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]phenyl]-N-methylmethanesulfonamide
CID 75392450
N-(2-methoxyphenyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
CID 75439495
5-[[3-(3,4-Difluorophenoxy)azetidin-1-yl]methyl]-1,3-thiazole
CID 134792843
5-[(2-Ethoxyphenyl)methyl]-1'-(1,3-thiazol-5-ylmethyl)spiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]
CID 134792294

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-methyl-N-(1,3-thiazol-5-ylmethyl)aniline?
The IUPAC name of 2-ethoxy-N-methyl-N-(1,3-thiazol-5-ylmethyl)aniline (CID 86804525) is 2-ethoxy-N-methyl-N-(1,3-thiazol-5-ylmethyl)aniline.
What is the SMILES notation for 2-ethoxy-N-methyl-N-(1,3-thiazol-5-ylmethyl)aniline?
The canonical SMILES for 2-ethoxy-N-methyl-N-(1,3-thiazol-5-ylmethyl)aniline is CCOc1ccccc1N(C)Cc1cncs1.
What is the InChIKey of 2-ethoxy-N-methyl-N-(1,3-thiazol-5-ylmethyl)aniline?
The InChIKey is QYGZSXUFYULLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-3-16-13-7-5-4-6-12(13)15(2)9-11-8-14-10-17-11/h4-8,10H,3,9H2,1-2H3.
What are the key properties of 2-ethoxy-N-methyl-N-(1,3-thiazol-5-ylmethyl)aniline?
2-ethoxy-N-methyl-N-(1,3-thiazol-5-ylmethyl)aniline has a molecular weight of 248.35 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-methyl-N-(1,3-thiazol-5-ylmethyl)aniline is sourced from PubChem (CID 86804525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).