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

C16H20N2O2S — CID 110718437

IUPAC3-(2-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide
SMILESCOc1ccccc1CCC(=O)NCCc1scnc1C
InChIInChI=1S/C16H20N2O2S/c1-12-15(21-11-18-12)9-10-17-16(19)8-7-13-5-3-4-6-14(13)20-2/h3-6,11H,7-10H2,1-2H3,(H,17,19)
InChIKeyQLAOGWGTHOKXPD-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.75
Rot. Bonds7

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

3-(2-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide (PubChem CID 110718437) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide
PubChem CID110718437
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-(2-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide
SMILESCOc1ccccc1CCC(=O)NCCc1scnc1C
InChIInChI=1S/C16H20N2O2S/c1-12-15(21-11-18-12)9-10-17-16(19)8-7-13-5-3-4-6-14(13)20-2/h3-6,11H,7-10H2,1-2H3,(H,17,19)
InChIKeyQLAOGWGTHOKXPD-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

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Related Compounds

2-(2-methylphenoxy)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 110718457
N-[2-(3-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 56906594
N-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)propanamide
CID 51157212
N-[2-(2-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 110388443
3-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]propanamide
CID 110718606
3-(2-methoxyphenyl)-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]propanamide
CID 110397933
3-[5-[(2,5-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide
CID 42383402
N-(4-hydroxybutyl)-3-(2-methoxyphenyl)propanamide
CID 106843312
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 74246486
3-(2-ethoxyphenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 31590171
N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
N-[2-(2-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 8911196

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide (CID 110718437) is 3-(2-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide is COc1ccccc1CCC(=O)NCCc1scnc1C.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide?
The InChIKey is QLAOGWGTHOKXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12-15(21-11-18-12)9-10-17-16(19)8-7-13-5-3-4-6-14(13)20-2/h3-6,11H,7-10H2,1-2H3,(H,17,19).
What are the key properties of 3-(2-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide?
3-(2-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]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 3-(2-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 110718437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).