N-[2-(3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide

C16H20N2O2S — CID 56906594

IUPACN-[2-(3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCOc1cccc(CCNC(=O)CCc2scnc2C)c1
InChIInChI=1S/C16H20N2O2S/c1-12-15(21-11-18-12)6-7-16(19)17-9-8-13-4-3-5-14(10-13)20-2/h3-5,10-11H,6-9H2,1-2H3,(H,17,19)
InChIKeyMVFXWGFEKPCPQH-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.75
Rot. Bonds7

About N-[2-(3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide

N-[2-(3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide (PubChem CID 56906594) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
PubChem CID56906594
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
SMILESCOc1cccc(CCNC(=O)CCc2scnc2C)c1
InChIInChI=1S/C16H20N2O2S/c1-12-15(21-11-18-12)6-7-16(19)17-9-8-13-4-3-5-14(10-13)20-2/h3-5,10-11H,6-9H2,1-2H3,(H,17,19)
InChIKeyMVFXWGFEKPCPQH-UHFFFAOYSA-N
XLogP2.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 110678832
N-[2-(3-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110295233
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 110685562
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
N-[2-(3-methoxyphenyl)ethyl]-3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 25386620
3-(2-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide
CID 110718437
4-[2-(3-methoxyphenyl)ethylamino]-4-oxobutanoic acid;hydrochloride
CID 170649983
N-[2-(4-aminophenyl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 119549328
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 113266225
4-(2,2-dimethylhydrazinyl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxobutanamide
CID 166390750
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide (CID 56906594) is N-[2-(3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide is COc1cccc(CCNC(=O)CCc2scnc2C)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
The InChIKey is MVFXWGFEKPCPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12-15(21-11-18-12)6-7-16(19)17-9-8-13-4-3-5-14(10-13)20-2/h3-5,10-11H,6-9H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide?
N-[2-(3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide has a molecular weight of 304.42 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide is sourced from PubChem (CID 56906594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).