[2-(3-acetylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate

C16H16N2O4S — CID 7469402

IUPAC[2-(3-acetylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCC(=O)c1cccc(NC(=O)COC(=O)c2sc(C)nc2C)c1
InChIInChI=1S/C16H16N2O4S/c1-9-15(23-11(3)17-9)16(21)22-8-14(20)18-13-6-4-5-12(7-13)10(2)19/h4-7H,8H2,1-3H3,(H,18,20)
InChIKeyJUXQNEIOUYUVRF-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.76
Rot. Bonds5

About [2-(3-acetylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate

[2-(3-acetylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate (PubChem CID 7469402) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is [2-(3-acetylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[2-(3-acetylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
PubChem CID7469402
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name[2-(3-acetylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCC(=O)c1cccc(NC(=O)COC(=O)c2sc(C)nc2C)c1
InChIInChI=1S/C16H16N2O4S/c1-9-15(23-11(3)17-9)16(21)22-8-14(20)18-13-6-4-5-12(7-13)10(2)19/h4-7H,8H2,1-3H3,(H,18,20)
InChIKeyJUXQNEIOUYUVRF-UHFFFAOYSA-N
XLogP2.76
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-acetylanilino)-2-oxoethyl] 4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 9137084
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7954923
[2-(3,5-dichloroanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7469411
[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 16519680
[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582150
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 7954881
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 16519534
[2-(3-acetylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2538231
(2-anilino-2-oxoethyl) 3-acetylbenzoate
CID 46860675
[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 16519652
[2-(3-acetylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 2337047
[2-(3-chloroanilino)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8617453

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate (CID 7469402) is [2-(3-acetylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [2-(3-acetylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [2-(3-acetylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate is CC(=O)c1cccc(NC(=O)COC(=O)c2sc(C)nc2C)c1.
What is the InChIKey of [2-(3-acetylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The InChIKey is JUXQNEIOUYUVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-9-15(23-11(3)17-9)16(21)22-8-14(20)18-13-6-4-5-12(7-13)10(2)19/h4-7H,8H2,1-3H3,(H,18,20).
What are the key properties of [2-(3-acetylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate?
[2-(3-acetylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate has a molecular weight of 332.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetylanilino)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 7469402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).