N-(3,5-dimethylphenyl)-N-ethyl-3-(1,3-thiazol-2-yl)propanamide

C16H20N2OS — CID 75417005

IUPACN-(3,5-dimethylphenyl)-N-ethyl-3-(1,3-thiazol-2-yl)propanamide
SMILESCCN(C(=O)CCc1nccs1)c1cc(C)cc(C)c1
InChIInChI=1S/C16H20N2OS/c1-4-18(14-10-12(2)9-13(3)11-14)16(19)6-5-15-17-7-8-20-15/h7-11H,4-6H2,1-3H3
InChIKeyOZMOEMSEILICAU-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.75
Rot. Bonds5

About N-(3,5-dimethylphenyl)-N-ethyl-3-(1,3-thiazol-2-yl)propanamide

N-(3,5-dimethylphenyl)-N-ethyl-3-(1,3-thiazol-2-yl)propanamide (PubChem CID 75417005) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N-ethyl-3-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N-ethyl-3-(1,3-thiazol-2-yl)propanamide
PubChem CID75417005
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-(3,5-dimethylphenyl)-N-ethyl-3-(1,3-thiazol-2-yl)propanamide
SMILESCCN(C(=O)CCc1nccs1)c1cc(C)cc(C)c1
InChIInChI=1S/C16H20N2OS/c1-4-18(14-10-12(2)9-13(3)11-14)16(19)6-5-15-17-7-8-20-15/h7-11H,4-6H2,1-3H3
InChIKeyOZMOEMSEILICAU-UHFFFAOYSA-N
XLogP3.75
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylphenyl)-N-ethyl-3-phenylpropanamide
CID 52574490
3-(2-aminophenyl)-N-(3,5-dimethylphenyl)-N-ethylpropanamide
CID 120609604
N-(3,5-dimethylphenyl)-N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 55965667
3-(1,3-thiazol-2-yl)propanamide
CID 45121787
N-(3,5-dimethylphenyl)-N-ethyl-2-phenylacetamide
CID 55592045
6-(1,3-thiazol-2-yl)hexan-2-one
CID 134309859
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
3-methyl-2-[3-(1,3-thiazol-2-yl)propanoylamino]pentanoic acid
CID 119212051
2-(3,4-difluorophenyl)-N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 71910307
1-(1,3-thiazol-2-yl)pentan-2-one
CID 63199328
ethyl 2-[methyl(1,3-thiazol-2-ylmethyl)amino]acetate
CID 79421858
N-(3,5-dimethylphenyl)-N-ethylbenzamide
CID 52574489

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N-ethyl-3-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-(3,5-dimethylphenyl)-N-ethyl-3-(1,3-thiazol-2-yl)propanamide (CID 75417005) is N-(3,5-dimethylphenyl)-N-ethyl-3-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N-ethyl-3-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-N-ethyl-3-(1,3-thiazol-2-yl)propanamide is CCN(C(=O)CCc1nccs1)c1cc(C)cc(C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-N-ethyl-3-(1,3-thiazol-2-yl)propanamide?
The InChIKey is OZMOEMSEILICAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-4-18(14-10-12(2)9-13(3)11-14)16(19)6-5-15-17-7-8-20-15/h7-11H,4-6H2,1-3H3.
What are the key properties of N-(3,5-dimethylphenyl)-N-ethyl-3-(1,3-thiazol-2-yl)propanamide?
N-(3,5-dimethylphenyl)-N-ethyl-3-(1,3-thiazol-2-yl)propanamide has a molecular weight of 288.42 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N-ethyl-3-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 75417005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).