2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide

C20H22N2O2S — CID 112772130

IUPAC2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
SMILESCCc1ccc(-c2nc(CC(=O)NC(C)c3ccc(C)o3)cs2)cc1
InChIInChI=1S/C20H22N2O2S/c1-4-15-6-8-16(9-7-15)20-22-17(12-25-20)11-19(23)21-14(3)18-10-5-13(2)24-18/h5-10,12,14H,4,11H2,1-3H3,(H,21,23)
InChIKeyCHIBCOJSAZSJJG-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.69
Rot. Bonds6

About 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide

2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide (PubChem CID 112772130) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
PubChem CID112772130
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
SMILESCCc1ccc(-c2nc(CC(=O)NC(C)c3ccc(C)o3)cs2)cc1
InChIInChI=1S/C20H22N2O2S/c1-4-15-6-8-16(9-7-15)20-22-17(12-25-20)11-19(23)21-14(3)18-10-5-13(2)24-18/h5-10,12,14H,4,11H2,1-3H3,(H,21,23)
InChIKeyCHIBCOJSAZSJJG-UHFFFAOYSA-N
XLogP4.69
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119585465
N-[1-(5-methylfuran-2-yl)ethyl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 51266458
N-(1-aminohexan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119664892
N-(1-aminohexan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide;hydrochloride
CID 119664891
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide;hydrochloride
CID 119605524
4-[4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]benzamide
CID 86789553
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetamide
CID 55776374
(2S)-2-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-propylpropanamide
CID 39965429
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 18593828
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide
CID 55569851
2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 40820049
2-(4-fluorophenyl)-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]acetamide
CID 51922977

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide?
The IUPAC name of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide (CID 112772130) is 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide is CCc1ccc(-c2nc(CC(=O)NC(C)c3ccc(C)o3)cs2)cc1.
What is the InChIKey of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide?
The InChIKey is CHIBCOJSAZSJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-4-15-6-8-16(9-7-15)20-22-17(12-25-20)11-19(23)21-14(3)18-10-5-13(2)24-18/h5-10,12,14H,4,11H2,1-3H3,(H,21,23).
What are the key properties of 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide?
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide has a molecular weight of 354.48 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide is sourced from PubChem (CID 112772130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).