N-(4-acetylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide

C13H13N3O3S — CID 108514840

IUPACN-(4-acetylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
SMILESCC(=O)c1ccc(NC(=O)C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C13H13N3O3S/c1-8(17)9-2-4-10(5-3-9)15-11(18)12(19)16-13-14-6-7-20-13/h2-5H,6-7H2,1H3,(H,15,18)(H,14,16,19)
InChIKeyIYDVTWLQBJSXPA-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.05
Rot. Bonds2

About N-(4-acetylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide

N-(4-acetylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide (PubChem CID 108514840) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
PubChem CID108514840
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC NameN-(4-acetylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
SMILESCC(=O)c1ccc(NC(=O)C(=O)NC2=NCCS2)cc1
InChIInChI=1S/C13H13N3O3S/c1-8(17)9-2-4-10(5-3-9)15-11(18)12(19)16-13-14-6-7-20-13/h2-5H,6-7H2,1H3,(H,15,18)(H,14,16,19)
InChIKeyIYDVTWLQBJSXPA-UHFFFAOYSA-N
XLogP1.05
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 4066059
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108529070
1-(4-chlorophenyl)-3-(4,5-dihydro-1,3-thiazol-2-yl)urea
CID 840553
(Z)-N-(4-acetamidophenyl)-2-cyano-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enamide
CID 108818791
N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide
CID 108514724
2-(4-acetylpiperazin-1-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-oxoacetamide
CID 108508435
N'-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,3,4-trifluorophenyl)oxamide
CID 108530808
3-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
CID 7534964
N-(4-acetylphenyl)-N'-[4-(diethylamino)phenyl]oxamide
CID 108514837
N-(4,5-dihydro-1,3-thiazol-2-yl)-N'-(1,3-thiazol-2-yl)oxamide
CID 108520051
N-(4-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
CID 108524105
N'-(4-acetylphenyl)-N-ethyloxamide
CID 108514755

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide?
The IUPAC name of N-(4-acetylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide (CID 108514840) is N-(4-acetylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N-(4-acetylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N-(4-acetylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide is CC(=O)c1ccc(NC(=O)C(=O)NC2=NCCS2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide?
The InChIKey is IYDVTWLQBJSXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-8(17)9-2-4-10(5-3-9)15-11(18)12(19)16-13-14-6-7-20-13/h2-5H,6-7H2,1H3,(H,15,18)(H,14,16,19).
What are the key properties of N-(4-acetylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide?
N-(4-acetylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide has a molecular weight of 291.33 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide is sourced from PubChem (CID 108514840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).