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

C13H16N2O3S — CID 974915

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OCCC(=O)NC2=NCCS2)cc1
InChIInChI=1S/C13H16N2O3S/c1-17-10-2-4-11(5-3-10)18-8-6-12(16)15-13-14-7-9-19-13/h2-5H,6-9H2,1H3,(H,14,15,16)
InChIKeyWIHIOIUOMNXAMB-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.68
Rot. Bonds5

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

N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methoxyphenoxy)propanamide (PubChem CID 974915) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methoxyphenoxy)propanamide
PubChem CID974915
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OCCC(=O)NC2=NCCS2)cc1
InChIInChI=1S/C13H16N2O3S/c1-17-10-2-4-11(5-3-10)18-8-6-12(16)15-13-14-7-9-19-13/h2-5H,6-9H2,1H3,(H,14,15,16)
InChIKeyWIHIOIUOMNXAMB-UHFFFAOYSA-N
XLogP1.68
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methoxyphenoxy)propanamide (CID 974915) is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methoxyphenoxy)propanamide is COc1ccc(OCCC(=O)NC2=NCCS2)cc1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methoxyphenoxy)propanamide?
The InChIKey is WIHIOIUOMNXAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-17-10-2-4-11(5-3-10)18-8-6-12(16)15-13-14-7-9-19-13/h2-5H,6-9H2,1H3,(H,14,15,16).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methoxyphenoxy)propanamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(4-methoxyphenoxy)propanamide has a molecular weight of 280.35 g/mol, XLogP of 1.68, 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-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 974915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).