N-(2-oxo-2-piperazin-1-ylethyl)thieno[3,2-b]thiophene-5-carboxamide

C13H15N3O2S2 — CID 80745910

IUPACN-(2-oxo-2-piperazin-1-ylethyl)thieno[3,2-b]thiophene-5-carboxamide
SMILESO=C(NCC(=O)N1CCNCC1)c1cc2sccc2s1
InChIInChI=1S/C13H15N3O2S2/c17-12(16-4-2-14-3-5-16)8-15-13(18)11-7-10-9(20-11)1-6-19-10/h1,6-7,14H,2-5,8H2,(H,15,18)
InChIKeyUMOAYPFFWKWRRV-UHFFFAOYSA-N
MW309.42 g/mol
LogP1.12
Rot. Bonds3

About N-(2-oxo-2-piperazin-1-ylethyl)thieno[3,2-b]thiophene-5-carboxamide

N-(2-oxo-2-piperazin-1-ylethyl)thieno[3,2-b]thiophene-5-carboxamide (PubChem CID 80745910) has the molecular formula C13H15N3O2S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is N-(2-oxo-2-piperazin-1-ylethyl)thieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-2-piperazin-1-ylethyl)thieno[3,2-b]thiophene-5-carboxamide
PubChem CID80745910
Molecular FormulaC13H15N3O2S2
Molecular Weight309.42 g/mol
Exact Mass309.06
IUPAC NameN-(2-oxo-2-piperazin-1-ylethyl)thieno[3,2-b]thiophene-5-carboxamide
SMILESO=C(NCC(=O)N1CCNCC1)c1cc2sccc2s1
InChIInChI=1S/C13H15N3O2S2/c17-12(16-4-2-14-3-5-16)8-15-13(18)11-7-10-9(20-11)1-6-19-10/h1,6-7,14H,2-5,8H2,(H,15,18)
InChIKeyUMOAYPFFWKWRRV-UHFFFAOYSA-N
XLogP1.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-carboxamide
CID 61175116
2-[[2-(thieno[3,2-b]thiophene-5-carbonylamino)acetyl]amino]acetic acid
CID 80733577
N-[2-(cyclopropylamino)ethyl]thieno[3,2-b]thiophene-5-carboxamide
CID 80745911
2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708781
3,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708769
N-[(1-hydroxycycloheptyl)methyl]thieno[3,2-b]thiophene-5-carboxamide
CID 78995131
2-ethyl-2-[(thieno[3,2-b]thiophene-5-carbonylamino)methyl]butanoic acid
CID 115429647
N-(azepan-3-yl)thieno[3,2-b]thiophene-5-carboxamide
CID 80745817
2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708758
4-chloro-2-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 61177799
3-fluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454984
3-bromo-4-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 107990145

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-2-piperazin-1-ylethyl)thieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-(2-oxo-2-piperazin-1-ylethyl)thieno[3,2-b]thiophene-5-carboxamide (CID 80745910) is N-(2-oxo-2-piperazin-1-ylethyl)thieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-(2-oxo-2-piperazin-1-ylethyl)thieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-(2-oxo-2-piperazin-1-ylethyl)thieno[3,2-b]thiophene-5-carboxamide is O=C(NCC(=O)N1CCNCC1)c1cc2sccc2s1.
What is the InChIKey of N-(2-oxo-2-piperazin-1-ylethyl)thieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is UMOAYPFFWKWRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S2/c17-12(16-4-2-14-3-5-16)8-15-13(18)11-7-10-9(20-11)1-6-19-10/h1,6-7,14H,2-5,8H2,(H,15,18).
What are the key properties of N-(2-oxo-2-piperazin-1-ylethyl)thieno[3,2-b]thiophene-5-carboxamide?
N-(2-oxo-2-piperazin-1-ylethyl)thieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 309.42 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-2-piperazin-1-ylethyl)thieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 80745910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).