[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate

C19H17N3O4S2 — CID 9130860

IUPAC[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
SMILESCNC(=O)c1ccc(NC(=O)COC(=O)Cc2csc(-c3ccsc3)n2)cc1
InChIInChI=1S/C19H17N3O4S2/c1-20-18(25)12-2-4-14(5-3-12)21-16(23)9-26-17(24)8-15-11-28-19(22-15)13-6-7-27-10-13/h2-7,10-11H,8-9H2,1H3,(H,20,25)(H,21,23)
InChIKeySHBUDJCWYCGCIR-UHFFFAOYSA-N
MW415.50 g/mol
LogP2.96
Rot. Bonds7

About [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate

[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate (PubChem CID 9130860) has the molecular formula C19H17N3O4S2 and a molecular weight of 415.50 g/mol. Its IUPAC name is [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
PubChem CID9130860
Molecular FormulaC19H17N3O4S2
Molecular Weight415.50 g/mol
Exact Mass415.07
IUPAC Name[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
SMILESCNC(=O)c1ccc(NC(=O)COC(=O)Cc2csc(-c3ccsc3)n2)cc1
InChIInChI=1S/C19H17N3O4S2/c1-20-18(25)12-2-4-14(5-3-12)21-16(23)9-26-17(24)8-15-11-28-19(22-15)13-6-7-27-10-13/h2-7,10-11H,8-9H2,1H3,(H,20,25)(H,21,23)
InChIKeySHBUDJCWYCGCIR-UHFFFAOYSA-N
XLogP2.96
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-fluoroanilino)-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9129152
[2-(3-methoxyanilino)-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9129205
methyl 3-[[2-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]oxyacetyl]amino]thiophene-2-carboxylate
CID 36711210
(2-amino-2-oxoethyl) 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9129066
N-methyl-4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 9164577
[2-(3-nitroanilino)-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9129391
[(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130583
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130088
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 8631061
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9129804
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130865
N-methoxy-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51279391

Frequently Asked Questions

What is the IUPAC name of [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate?
The IUPAC name of [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate (CID 9130860) is [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate is CNC(=O)c1ccc(NC(=O)COC(=O)Cc2csc(-c3ccsc3)n2)cc1.
What is the InChIKey of [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate?
The InChIKey is SHBUDJCWYCGCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S2/c1-20-18(25)12-2-4-14(5-3-12)21-16(23)9-26-17(24)8-15-11-28-19(22-15)13-6-7-27-10-13/h2-7,10-11H,8-9H2,1H3,(H,20,25)(H,21,23).
What are the key properties of [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate?
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate has a molecular weight of 415.50 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 9130860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).