[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate

C20H18N4O4S — CID 30253480

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)Cc2csc(-c3ccccn3)n2)cc1
InChIInChI=1S/C20H18N4O4S/c1-13(25)22-14-5-7-15(8-6-14)23-18(26)11-28-19(27)10-16-12-29-20(24-16)17-4-2-3-9-21-17/h2-9,12H,10-11H2,1H3,(H,22,25)(H,23,26)
InChIKeyAQOADWORLKBRPN-UHFFFAOYSA-N
MW410.46 g/mol
LogP2.89
Rot. Bonds7

About [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate

[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate (PubChem CID 30253480) has the molecular formula C20H18N4O4S and a molecular weight of 410.46 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
PubChem CID30253480
Molecular FormulaC20H18N4O4S
Molecular Weight410.46 g/mol
Exact Mass410.10
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)Cc2csc(-c3ccccn3)n2)cc1
InChIInChI=1S/C20H18N4O4S/c1-13(25)22-14-5-7-15(8-6-14)23-18(26)11-28-19(27)10-16-12-29-20(24-16)17-4-2-3-9-21-17/h2-9,12H,10-11H2,1H3,(H,22,25)(H,23,26)
InChIKeyAQOADWORLKBRPN-UHFFFAOYSA-N
XLogP2.89
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate with MolForge

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Related Compounds

[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
CID 4853072
4-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 26721108
2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 55919837
N-(3-acetylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 34829771
N-[4-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 4822806
[2-(1,2-diphenylethylamino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
CID 55423156
[2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
CID 43015443
[2-(2-chloro-4-nitroanilino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
CID 46815957
N-(3-chloro-4-methylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 30424894
N-(4-acetamidophenyl)-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 48845320
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8919041
N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27648148

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate (CID 30253480) is [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate is CC(=O)Nc1ccc(NC(=O)COC(=O)Cc2csc(-c3ccccn3)n2)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate?
The InChIKey is AQOADWORLKBRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4S/c1-13(25)22-14-5-7-15(8-6-14)23-18(26)11-28-19(27)10-16-12-29-20(24-16)17-4-2-3-9-21-17/h2-9,12H,10-11H2,1H3,(H,22,25)(H,23,26).
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate?
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate has a molecular weight of 410.46 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl] 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 30253480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).