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

C14H16N2O2S — CID 6624464

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-methylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NC2=NCCS2)cc1
InChIInChI=1S/C14H16N2O2S/c1-10-2-4-11(5-3-10)12(17)6-7-13(18)16-14-15-8-9-19-14/h2-5H,6-9H2,1H3,(H,15,16,18)
InChIKeyNUEFYNHGOHVZLH-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.18
Rot. Bonds4

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

N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-methylphenyl)-4-oxobutanamide (PubChem CID 6624464) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-methylphenyl)-4-oxobutanamide
PubChem CID6624464
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-methylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NC2=NCCS2)cc1
InChIInChI=1S/C14H16N2O2S/c1-10-2-4-11(5-3-10)12(17)6-7-13(18)16-14-15-8-9-19-14/h2-5H,6-9H2,1H3,(H,15,16,18)
InChIKeyNUEFYNHGOHVZLH-UHFFFAOYSA-N
XLogP2.18
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-methylphenyl)-4-oxobutanamide (CID 6624464) is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-methylphenyl)-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)NC2=NCCS2)cc1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-methylphenyl)-4-oxobutanamide?
The InChIKey is NUEFYNHGOHVZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-10-2-4-11(5-3-10)12(17)6-7-13(18)16-14-15-8-9-19-14/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-methylphenyl)-4-oxobutanamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-methylphenyl)-4-oxobutanamide has a molecular weight of 276.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 6624464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).