N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide

C14H18N2O3S — CID 2087787

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC2=NCCS2)cc1OC
InChIInChI=1S/C14H18N2O3S/c1-18-11-5-3-10(9-12(11)19-2)4-6-13(17)16-14-15-7-8-20-14/h3,5,9H,4,6-8H2,1-2H3,(H,15,16,17)
InChIKeyIXEXOQHPOGDENC-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.86
Rot. Bonds5

About N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide (PubChem CID 2087787) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide
PubChem CID2087787
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC2=NCCS2)cc1OC
InChIInChI=1S/C14H18N2O3S/c1-18-11-5-3-10(9-12(11)19-2)4-6-13(17)16-14-15-7-8-20-14/h3,5,9H,4,6-8H2,1-2H3,(H,15,16,17)
InChIKeyIXEXOQHPOGDENC-UHFFFAOYSA-N
XLogP1.86
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N1-(1,3-thiazolan-2-yliden)-2-(3,4-dimethoxyphenyl)ethan-1-amine
CID 2731061
2-(3,4-dimethoxyphenyl)-1-(2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)ethanone
CID 4275454
(E)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 2424915
4-(3,4-Dimethoxyphenyl)-2-(ethylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
CID 646545
N-[2-(3,4-Dimethoxy-phenyl)-ethyl]-2-(4-hydroxy-5-isobutyl-6-oxo-1,6-dihydro-pyrimidin-2-ylsulfanyl)-acetamide
CID 650634
2-{[2-(3,4-Dimethoxyphenyl)ethyl]imino}-3-methyl-1,3-thiazolidin-4-one
CID 1356516
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 2563151
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-oxo-2-(2-phenylethylimino)-1,3-thiazolidin-5-yl]acetamide
CID 135454519
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-oxo-2-propylimino-1,3-thiazolidin-5-yl)acetamide
CID 135499006
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 6624467
6-(3,4-dimethoxybenzyl)-3-(methylsulfanyl)-1,2,4-triazin-5(2H)-one
CID 135435896
2-Imino-5-[(4-methoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 2841514

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide (CID 2087787) is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide is COc1ccc(CCC(=O)NC2=NCCS2)cc1OC.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is IXEXOQHPOGDENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-18-11-5-3-10(9-12(11)19-2)4-6-13(17)16-14-15-7-8-20-14/h3,5,9H,4,6-8H2,1-2H3,(H,15,16,17).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 294.38 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 2087787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).