[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate

C21H20N4O4S2 — CID 24522768

IUPAC[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
SMILESO=C(OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)c1csc(-c2ccsc2)n1
InChIInChI=1S/C21H20N4O4S2/c26-18(12-29-20(27)17-14-31-19(23-17)15-6-11-30-13-15)24-7-9-25(10-8-24)21(28)22-16-4-2-1-3-5-16/h1-6,11,13-14H,7-10,12H2,(H,22,28)
InChIKeySEINFFTUMCNFSI-UHFFFAOYSA-N
MW456.55 g/mol
LogP3.40
Rot. Bonds5

About [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate

[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate (PubChem CID 24522768) has the molecular formula C21H20N4O4S2 and a molecular weight of 456.55 g/mol. Its IUPAC name is [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
PubChem CID24522768
Molecular FormulaC21H20N4O4S2
Molecular Weight456.55 g/mol
Exact Mass456.09
IUPAC Name[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
SMILESO=C(OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)c1csc(-c2ccsc2)n1
InChIInChI=1S/C21H20N4O4S2/c26-18(12-29-20(27)17-14-31-19(23-17)15-6-11-30-13-15)24-7-9-25(10-8-24)21(28)22-16-4-2-1-3-5-16/h1-6,11,13-14H,7-10,12H2,(H,22,28)
InChIKeySEINFFTUMCNFSI-UHFFFAOYSA-N
XLogP3.40
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(azocan-1-yl)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 18122805
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 8542517
2-oxopropyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 55426094
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 5-methylpyrazine-2-carboxylate
CID 27212790
2-chloroprop-2-enyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 55476103
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 5-bromothiophene-2-carboxylate
CID 27263141
[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 46544769
1,3-benzothiazol-2-ylmethyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 40766094
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxylate
CID 27728272
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 18122802
[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 8542495
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 33065558

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate (CID 24522768) is [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate is O=C(OCC(=O)N1CCN(C(=O)Nc2ccccc2)CC1)c1csc(-c2ccsc2)n1.
What is the InChIKey of [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
The InChIKey is SEINFFTUMCNFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4S2/c26-18(12-29-20(27)17-14-31-19(23-17)15-6-11-30-13-15)24-7-9-25(10-8-24)21(28)22-16-4-2-1-3-5-16/h1-6,11,13-14H,7-10,12H2,(H,22,28).
What are the key properties of [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate has a molecular weight of 456.55 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 24522768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).