N-ethyl-2-(4-methylphenoxy)-N-(1,3-thiazol-2-ylmethyl)acetamide

C15H18N2O2S — CID 67513371

IUPACN-ethyl-2-(4-methylphenoxy)-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESCCN(Cc1nccs1)C(=O)COc1ccc(C)cc1
InChIInChI=1S/C15H18N2O2S/c1-3-17(10-14-16-8-9-20-14)15(18)11-19-13-6-4-12(2)5-7-13/h4-9H,3,10-11H2,1-2H3
InChIKeyRHMPXSGEYPEQKB-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.88
Rot. Bonds6

About N-ethyl-2-(4-methylphenoxy)-N-(1,3-thiazol-2-ylmethyl)acetamide

N-ethyl-2-(4-methylphenoxy)-N-(1,3-thiazol-2-ylmethyl)acetamide (PubChem CID 67513371) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-ethyl-2-(4-methylphenoxy)-N-(1,3-thiazol-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-methylphenoxy)-N-(1,3-thiazol-2-ylmethyl)acetamide
PubChem CID67513371
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-ethyl-2-(4-methylphenoxy)-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESCCN(Cc1nccs1)C(=O)COc1ccc(C)cc1
InChIInChI=1S/C15H18N2O2S/c1-3-17(10-14-16-8-9-20-14)15(18)11-19-13-6-4-12(2)5-7-13/h4-9H,3,10-11H2,1-2H3
InChIKeyRHMPXSGEYPEQKB-UHFFFAOYSA-N
XLogP2.88
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-Pyrrolidin-1-yl-ethoxy)-benzyl]-thiazole
CID 10684790
N-ethyl-2-(4-methylphenoxy)-N-(1,3-thiazol-5-ylmethyl)acetamide
CID 67511043
2-(4-Octylphenoxy)-1-(1,3-thiazol-2-yl)ethanone
CID 77847624
N-({2-[(4-Methylphenoxy)methyl]-1,3-thiazol-4-YL}methyl)-N-(2-methylpropyl)acetamide
CID 24714429
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)propanamide
CID 46009264
2-(2-Fluorophenoxy)-1-(3-(thiazol-2-yloxy)azetidin-1-yl)ethanone
CID 73168846
4-(4-Methylphenoxy)-4-{[2-(1,3-thiazol-2-yl)-1-pyrrolidinyl]carbonyl}piperidine hydrochloride
CID 70779669
2-(4-propylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 670965
1-{4-[(4-Methyl-1,3-thiazol-2-yl)methyl]-1-piperazinyl}-2-(o-tolyloxy)-1-ethanone
CID 29698020
1-[2-(2-Propan-2-ylphenoxy)ethyl]-3-(1,3-thiazol-2-ylmethyl)urea
CID 72018612
1-[1-(3-Methylphenoxy)propan-2-yl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea
CID 72140514
1-methyl-3-[(2S)-1-(2-methylphenoxy)propan-2-yl]-1-(1,3-thiazol-2-ylmethyl)urea
CID 95969002

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methylphenoxy)-N-(1,3-thiazol-2-ylmethyl)acetamide?
The IUPAC name of N-ethyl-2-(4-methylphenoxy)-N-(1,3-thiazol-2-ylmethyl)acetamide (CID 67513371) is N-ethyl-2-(4-methylphenoxy)-N-(1,3-thiazol-2-ylmethyl)acetamide.
What is the SMILES notation for N-ethyl-2-(4-methylphenoxy)-N-(1,3-thiazol-2-ylmethyl)acetamide?
The canonical SMILES for N-ethyl-2-(4-methylphenoxy)-N-(1,3-thiazol-2-ylmethyl)acetamide is CCN(Cc1nccs1)C(=O)COc1ccc(C)cc1.
What is the InChIKey of N-ethyl-2-(4-methylphenoxy)-N-(1,3-thiazol-2-ylmethyl)acetamide?
The InChIKey is RHMPXSGEYPEQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-3-17(10-14-16-8-9-20-14)15(18)11-19-13-6-4-12(2)5-7-13/h4-9H,3,10-11H2,1-2H3.
What are the key properties of N-ethyl-2-(4-methylphenoxy)-N-(1,3-thiazol-2-ylmethyl)acetamide?
N-ethyl-2-(4-methylphenoxy)-N-(1,3-thiazol-2-ylmethyl)acetamide has a molecular weight of 290.39 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methylphenoxy)-N-(1,3-thiazol-2-ylmethyl)acetamide is sourced from PubChem (CID 67513371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).