[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate

C19H22N4O5S — CID 46605170

IUPAC[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
SMILESCCN(CC)C(=O)c1ccc(NC(=O)COC(=O)c2csc(NC(C)=O)n2)cc1
InChIInChI=1S/C19H22N4O5S/c1-4-23(5-2)17(26)13-6-8-14(9-7-13)21-16(25)10-28-18(27)15-11-29-19(22-15)20-12(3)24/h6-9,11H,4-5,10H2,1-3H3,(H,21,25)(H,20,22,24)
InChIKeyADYJGVOYKSOLMB-UHFFFAOYSA-N
MW418.48 g/mol
LogP2.38
Rot. Bonds8

About [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate

[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate (PubChem CID 46605170) has the molecular formula C19H22N4O5S and a molecular weight of 418.48 g/mol. Its IUPAC name is [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
PubChem CID46605170
Molecular FormulaC19H22N4O5S
Molecular Weight418.48 g/mol
Exact Mass418.13
IUPAC Name[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
SMILESCCN(CC)C(=O)c1ccc(NC(=O)COC(=O)c2csc(NC(C)=O)n2)cc1
InChIInChI=1S/C19H22N4O5S/c1-4-23(5-2)17(26)13-6-8-14(9-7-13)21-16(25)10-28-18(27)15-11-29-19(22-15)20-12(3)24/h6-9,11H,4-5,10H2,1-3H3,(H,21,25)(H,20,22,24)
InChIKeyADYJGVOYKSOLMB-UHFFFAOYSA-N
XLogP2.38
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-acetamidobenzoate
CID 7957923
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46604829
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate
CID 7777347
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-chlorobenzoate
CID 7797485
[2-(2-methoxyethylamino)-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605351
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate
CID 31167511
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605172
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 7146937
[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46604962
[2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605024
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-propoxybenzoate
CID 7211957
N,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide
CID 17196837

Frequently Asked Questions

What is the IUPAC name of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate?
The IUPAC name of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate (CID 46605170) is [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate?
The canonical SMILES for [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate is CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)c2csc(NC(C)=O)n2)cc1.
What is the InChIKey of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate?
The InChIKey is ADYJGVOYKSOLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5S/c1-4-23(5-2)17(26)13-6-8-14(9-7-13)21-16(25)10-28-18(27)15-11-29-19(22-15)20-12(3)24/h6-9,11H,4-5,10H2,1-3H3,(H,21,25)(H,20,22,24).
What are the key properties of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate?
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate has a molecular weight of 418.48 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 46605170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).