3-(4-ethylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide

C17H22N2OS — CID 110739218

IUPAC3-(4-ethylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
SMILESCCc1ccc(CCC(=O)NCCc2nc(C)cs2)cc1
InChIInChI=1S/C17H22N2OS/c1-3-14-4-6-15(7-5-14)8-9-16(20)18-11-10-17-19-13(2)12-21-17/h4-7,12H,3,8-11H2,1-2H3,(H,18,20)
InChIKeyOYIYUQOGXGOVOL-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.31
Rot. Bonds7

About 3-(4-ethylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide

3-(4-ethylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide (PubChem CID 110739218) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
PubChem CID110739218
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name3-(4-ethylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
SMILESCCc1ccc(CCC(=O)NCCc2nc(C)cs2)cc1
InChIInChI=1S/C17H22N2OS/c1-3-14-4-6-15(7-5-14)8-9-16(20)18-11-10-17-19-13(2)12-21-17/h4-7,12H,3,8-11H2,1-2H3,(H,18,20)
InChIKeyOYIYUQOGXGOVOL-UHFFFAOYSA-N
XLogP3.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 39071897
N-(4-ethylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 110388497
3-(4-methyl-1,3-thiazol-2-yl)-N-(3-phenylpropyl)propanamide
CID 110388471
3-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 29278184
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(4-propan-2-ylphenyl)propanamide
CID 47048123
1-ethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 47228479
N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazol-2-yl]ethyl]butanamide
CID 123185864
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110436537
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 110388410
N-[2-(2-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 110388443
1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 115579398
3-(4-ethylphenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94866860

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide?
The IUPAC name of 3-(4-ethylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide (CID 110739218) is 3-(4-ethylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4-ethylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(4-ethylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide is CCc1ccc(CCC(=O)NCCc2nc(C)cs2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide?
The InChIKey is OYIYUQOGXGOVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-3-14-4-6-15(7-5-14)8-9-16(20)18-11-10-17-19-13(2)12-21-17/h4-7,12H,3,8-11H2,1-2H3,(H,18,20).
What are the key properties of 3-(4-ethylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide?
3-(4-ethylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide has a molecular weight of 302.44 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 110739218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).