3-(3,4-dimethoxyphenyl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide

C15H18N2O3S — CID 110476504

IUPAC3-(3,4-dimethoxyphenyl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCOc1ccc(CC(C)C(=O)Nc2nccs2)cc1OC
InChIInChI=1S/C15H18N2O3S/c1-10(14(18)17-15-16-6-7-21-15)8-11-4-5-12(19-2)13(9-11)20-3/h4-7,9-10H,8H2,1-3H3,(H,16,17,18)
InChIKeyLYMXDGSIJXTWGE-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.98
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide

3-(3,4-dimethoxyphenyl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 110476504) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID110476504
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3-(3,4-dimethoxyphenyl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCOc1ccc(CC(C)C(=O)Nc2nccs2)cc1OC
InChIInChI=1S/C15H18N2O3S/c1-10(14(18)17-15-16-6-7-21-15)8-11-4-5-12(19-2)13(9-11)20-3/h4-7,9-10H,8H2,1-3H3,(H,16,17,18)
InChIKeyLYMXDGSIJXTWGE-UHFFFAOYSA-N
XLogP2.98
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 648788
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 108891342
1-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]-3-(1,3-thiazol-2-yl)urea
CID 59725734
N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpentanamide
CID 4026988
(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 7302765
3-(3,4-dimethoxyphenyl)-N-(4-hydroxy-2-methylphenyl)-2-methylpropanamide
CID 84575925
1-[2-(3-ethoxy-4-methoxyphenyl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
CID 22923229
1-(3,4-dimethoxyphenyl)-N-methyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824580
3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methyl-1H-indol-3-yl)propanamide
CID 112527043
1-(3,4-dimethoxyphenyl)-2-methylpentan-3-one
CID 79019340
4-methoxy-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]benzoic acid
CID 79737424
3-methoxy-4-propoxy-N-(1,3-thiazol-2-yl)benzamide
CID 2083346

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide (CID 110476504) is 3-(3,4-dimethoxyphenyl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide is COc1ccc(CC(C)C(=O)Nc2nccs2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is LYMXDGSIJXTWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10(14(18)17-15-16-6-7-21-15)8-11-4-5-12(19-2)13(9-11)20-3/h4-7,9-10H,8H2,1-3H3,(H,16,17,18).
What are the key properties of 3-(3,4-dimethoxyphenyl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide?
3-(3,4-dimethoxyphenyl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 306.39 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-2-methyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 110476504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).