N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-methoxyphenyl)-4-oxobutanamide

C14H16N2O3S — CID 6624467

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-methoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)NC2=NCCS2)cc1
InChIInChI=1S/C14H16N2O3S/c1-19-11-4-2-10(3-5-11)12(17)6-7-13(18)16-14-15-8-9-20-14/h2-5H,6-9H2,1H3,(H,15,16,18)
InChIKeyPZFNEXGDCXGDLU-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.88
Rot. Bonds5

About N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-methoxyphenyl)-4-oxobutanamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-methoxyphenyl)-4-oxobutanamide (PubChem CID 6624467) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-methoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-methoxyphenyl)-4-oxobutanamide
PubChem CID6624467
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-methoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)NC2=NCCS2)cc1
InChIInChI=1S/C14H16N2O3S/c1-19-11-4-2-10(3-5-11)12(17)6-7-13(18)16-14-15-8-9-20-14/h2-5H,6-9H2,1H3,(H,15,16,18)
InChIKeyPZFNEXGDCXGDLU-UHFFFAOYSA-N
XLogP1.88
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.88
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)-4-(4-methoxyphenyl)-4-oxobutanamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-methoxyphenyl)-4-oxobutanamide (CID 6624467) is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-methoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-methoxyphenyl)-4-oxobutanamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-methoxyphenyl)-4-oxobutanamide is COc1ccc(C(=O)CCC(=O)NC2=NCCS2)cc1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-methoxyphenyl)-4-oxobutanamide?
The InChIKey is PZFNEXGDCXGDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-19-11-4-2-10(3-5-11)12(17)6-7-13(18)16-14-15-8-9-20-14/h2-5H,6-9H2,1H3,(H,15,16,18).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-methoxyphenyl)-4-oxobutanamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-methoxyphenyl)-4-oxobutanamide has a molecular weight of 292.36 g/mol, XLogP of 1.88, 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)-4-(4-methoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 6624467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).