ethyl 2-[(5-oxopiperazine-2-carbonyl)amino]thiophene-3-carboxylate

C12H15N3O4S — CID 107435879

IUPACethyl 2-[(5-oxopiperazine-2-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)C1CNC(=O)CN1
InChIInChI=1S/C12H15N3O4S/c1-2-19-12(18)7-3-4-20-11(7)15-10(17)8-5-14-9(16)6-13-8/h3-4,8,13H,2,5-6H2,1H3,(H,14,16)(H,15,17)
InChIKeyVWADCMMDIMYHJR-UHFFFAOYSA-N
MW297.34 g/mol
LogP-0.05
Rot. Bonds4

About ethyl 2-[(5-oxopiperazine-2-carbonyl)amino]thiophene-3-carboxylate

ethyl 2-[(5-oxopiperazine-2-carbonyl)amino]thiophene-3-carboxylate (PubChem CID 107435879) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is ethyl 2-[(5-oxopiperazine-2-carbonyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(5-oxopiperazine-2-carbonyl)amino]thiophene-3-carboxylate
PubChem CID107435879
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Nameethyl 2-[(5-oxopiperazine-2-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)C1CNC(=O)CN1
InChIInChI=1S/C12H15N3O4S/c1-2-19-12(18)7-3-4-20-11(7)15-10(17)8-5-14-9(16)6-13-8/h3-4,8,13H,2,5-6H2,1H3,(H,14,16)(H,15,17)
InChIKeyVWADCMMDIMYHJR-UHFFFAOYSA-N
XLogP-0.05
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]thiophene-3-carboxylate
CID 112729095
ethyl 2-(pyrrolidine-2-carbonylamino)thiophene-3-carboxylate
CID 60717312
ethyl 2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]thiophene-3-carboxylate
CID 79207789
6-[(3-ethoxycarbonylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 6465288
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopiperazine-2-carboxamide
CID 107641827
N-(2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107433395
(1S,2S,3R,4S)-3-[(3-ethoxycarbonylthiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 18557780
ethyl 2-(3-chloropropanoylamino)thiophene-3-carboxylate
CID 43236535
ethyl 2-(2-hydroxyethoxycarbonylamino)thiophene-3-carboxylate
CID 79345757
ethyl 2-(3-bromopropanoylamino)thiophene-3-carboxylate
CID 115571598
ethyl 2-(sulfamoylamino)thiophene-3-carboxylate
CID 112573422
ethyl 2-[[2-(propylamino)acetyl]amino]thiophene-3-carboxylate
CID 60703501

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-oxopiperazine-2-carbonyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(5-oxopiperazine-2-carbonyl)amino]thiophene-3-carboxylate (CID 107435879) is ethyl 2-[(5-oxopiperazine-2-carbonyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(5-oxopiperazine-2-carbonyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(5-oxopiperazine-2-carbonyl)amino]thiophene-3-carboxylate is CCOC(=O)c1ccsc1NC(=O)C1CNC(=O)CN1.
What is the InChIKey of ethyl 2-[(5-oxopiperazine-2-carbonyl)amino]thiophene-3-carboxylate?
The InChIKey is VWADCMMDIMYHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-2-19-12(18)7-3-4-20-11(7)15-10(17)8-5-14-9(16)6-13-8/h3-4,8,13H,2,5-6H2,1H3,(H,14,16)(H,15,17).
What are the key properties of ethyl 2-[(5-oxopiperazine-2-carbonyl)amino]thiophene-3-carboxylate?
ethyl 2-[(5-oxopiperazine-2-carbonyl)amino]thiophene-3-carboxylate has a molecular weight of 297.34 g/mol, XLogP of -0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-oxopiperazine-2-carbonyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 107435879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).