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

C17H22N2O5S — CID 27164523

IUPAC3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
SMILESCOc1cc(CNC(=O)CCn2c(C)csc2=O)cc(OC)c1OC
InChIInChI=1S/C17H22N2O5S/c1-11-10-25-17(21)19(11)6-5-15(20)18-9-12-7-13(22-2)16(24-4)14(8-12)23-3/h7-8,10H,5-6,9H2,1-4H3,(H,18,20)
InChIKeyNAWHOXUTECUODB-UHFFFAOYSA-N
MW366.44 g/mol
LogP1.95
Rot. Bonds8

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

3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide (PubChem CID 27164523) has the molecular formula C17H22N2O5S and a molecular weight of 366.44 g/mol. Its IUPAC name is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
PubChem CID27164523
Molecular FormulaC17H22N2O5S
Molecular Weight366.44 g/mol
Exact Mass366.12
IUPAC Name3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
SMILESCOc1cc(CNC(=O)CCn2c(C)csc2=O)cc(OC)c1OC
InChIInChI=1S/C17H22N2O5S/c1-11-10-25-17(21)19(11)6-5-15(20)18-9-12-7-13(22-2)16(24-4)14(8-12)23-3/h7-8,10H,5-6,9H2,1-4H3,(H,18,20)
InChIKeyNAWHOXUTECUODB-UHFFFAOYSA-N
XLogP1.95
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-acetamidophenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 24628966
N-[[2-(methoxymethyl)phenyl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 32605316
N-(4-amino-2-methoxyphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 43287035
ethyl 4-oxo-4-[(3,4,5-trimethoxyphenyl)methylamino]butanoate
CID 8529703
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 27171008
4-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]butanoic acid
CID 119352737
3-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 9483290
N-[(1R)-1-(2-methoxyphenyl)propyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 51983397
3-(4-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 16574584
N-[4-[(2-methoxyacetyl)amino]phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 35336299
4-(methylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 61273980
ethyl 2-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]sulfanylacetate
CID 9286947

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide (CID 27164523) is 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide is COc1cc(CNC(=O)CCn2c(C)csc2=O)cc(OC)c1OC.
What is the InChIKey of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The InChIKey is NAWHOXUTECUODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S/c1-11-10-25-17(21)19(11)6-5-15(20)18-9-12-7-13(22-2)16(24-4)14(8-12)23-3/h7-8,10H,5-6,9H2,1-4H3,(H,18,20).
What are the key properties of 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide has a molecular weight of 366.44 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 27164523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).