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

C14H16N2O3S — CID 2118575

IUPAC3-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2nccs2)cc1OC
InChIInChI=1S/C14H16N2O3S/c1-18-11-5-3-10(9-12(11)19-2)4-6-13(17)16-14-15-7-8-20-14/h3,5,7-9H,4,6H2,1-2H3,(H,15,16,17)
InChIKeyPTMIHNZOXOWATA-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.73
Rot. Bonds6

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

3-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 2118575) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID2118575
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2nccs2)cc1OC
InChIInChI=1S/C14H16N2O3S/c1-18-11-5-3-10(9-12(11)19-2)4-6-13(17)16-14-15-7-8-20-14/h3,5,7-9H,4,6H2,1-2H3,(H,15,16,17)
InChIKeyPTMIHNZOXOWATA-UHFFFAOYSA-N
XLogP2.73
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide (CID 2118575) is 3-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide is COc1ccc(CCC(=O)Nc2nccs2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is PTMIHNZOXOWATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-18-11-5-3-10(9-12(11)19-2)4-6-13(17)16-14-15-7-8-20-14/h3,5,7-9H,4,6H2,1-2H3,(H,15,16,17).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide?
3-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 292.36 g/mol, XLogP of 2.73, 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)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 2118575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).