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

C15H18N2O3S — CID 24686748

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)NC2=NCCS2)cc1
InChIInChI=1S/C15H18N2O3S/c1-2-20-12-5-3-11(4-6-12)13(18)7-8-14(19)17-15-16-9-10-21-15/h3-6H,2,7-10H2,1H3,(H,16,17,19)
InChIKeyNWVWIEKLKWZJIN-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.27
Rot. Bonds6

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

N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide (PubChem CID 24686748) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide
PubChem CID24686748
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)NC2=NCCS2)cc1
InChIInChI=1S/C15H18N2O3S/c1-2-20-12-5-3-11(4-6-12)13(18)7-8-14(19)17-15-16-9-10-21-15/h3-6H,2,7-10H2,1H3,(H,16,17,19)
InChIKeyNWVWIEKLKWZJIN-UHFFFAOYSA-N
XLogP2.27
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclohexylmethyl)-5-isopropyl-2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-1H-pyrimidin-6-one
CID 135955871
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 821601
4-(cyclohexylmethyl)-5-ethyl-2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-1H-pyrimidin-6-one
CID 135955977
N-(4,5-Dihydro-2-thiazolyl)-4-(1-methylethoxy)benzamide
CID 802126
Stk520326
CID 924650
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(propan-2-yloxy)benzamide
CID 955794
4-benzyl-5-ethyl-2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-1H-pyrimidin-6-one
CID 135923999
2-[(4-Hydroxy-2-pyrimidinyl)thio]-1-(4-methoxyphenyl)ethanone
CID 860103
4-(4-acetylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)butanamide
CID 2561100
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 2563151
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide
CID 3000191
1-[3-(4,6-Dihydroxy-pyrimidin-2-ylsulfanylmethyl)-4-propoxy-phenyl]-ethanone
CID 3103780

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide (CID 24686748) is N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide is CCOc1ccc(C(=O)CCC(=O)NC2=NCCS2)cc1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide?
The InChIKey is NWVWIEKLKWZJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-2-20-12-5-3-11(4-6-12)13(18)7-8-14(19)17-15-16-9-10-21-15/h3-6H,2,7-10H2,1H3,(H,16,17,19).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide has a molecular weight of 306.39 g/mol, XLogP of 2.27, 6 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-ethoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 24686748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).