2-[[2-(2-cyanopiperazin-1-yl)acetyl]amino]thiophene-3-carboxamide

C12H15N5O2S — CID 79086401

IUPAC2-[[2-(2-cyanopiperazin-1-yl)acetyl]amino]thiophene-3-carboxamide
SMILESN#CC1CNCCN1CC(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C12H15N5O2S/c13-5-8-6-15-2-3-17(8)7-10(18)16-12-9(11(14)19)1-4-20-12/h1,4,8,15H,2-3,6-7H2,(H2,14,19)(H,16,18)
InChIKeyXOLFQQIEXFAVQB-UHFFFAOYSA-N
MW293.35 g/mol
LogP-0.42
Rot. Bonds4

About 2-[[2-(2-cyanopiperazin-1-yl)acetyl]amino]thiophene-3-carboxamide

2-[[2-(2-cyanopiperazin-1-yl)acetyl]amino]thiophene-3-carboxamide (PubChem CID 79086401) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-[[2-(2-cyanopiperazin-1-yl)acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(2-cyanopiperazin-1-yl)acetyl]amino]thiophene-3-carboxamide
PubChem CID79086401
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name2-[[2-(2-cyanopiperazin-1-yl)acetyl]amino]thiophene-3-carboxamide
SMILESN#CC1CNCCN1CC(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C12H15N5O2S/c13-5-8-6-15-2-3-17(8)7-10(18)16-12-9(11(14)19)1-4-20-12/h1,4,8,15H,2-3,6-7H2,(H2,14,19)(H,16,18)
InChIKeyXOLFQQIEXFAVQB-UHFFFAOYSA-N
XLogP-0.42
TPSA111.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-cyanopiperazin-1-yl)acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-(2-cyanopiperazin-1-yl)acetyl]amino]thiophene-3-carboxamide (CID 79086401) is 2-[[2-(2-cyanopiperazin-1-yl)acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(2-cyanopiperazin-1-yl)acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(2-cyanopiperazin-1-yl)acetyl]amino]thiophene-3-carboxamide is N#CC1CNCCN1CC(=O)Nc1sccc1C(N)=O.
What is the InChIKey of 2-[[2-(2-cyanopiperazin-1-yl)acetyl]amino]thiophene-3-carboxamide?
The InChIKey is XOLFQQIEXFAVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c13-5-8-6-15-2-3-17(8)7-10(18)16-12-9(11(14)19)1-4-20-12/h1,4,8,15H,2-3,6-7H2,(H2,14,19)(H,16,18).
What are the key properties of 2-[[2-(2-cyanopiperazin-1-yl)acetyl]amino]thiophene-3-carboxamide?
2-[[2-(2-cyanopiperazin-1-yl)acetyl]amino]thiophene-3-carboxamide has a molecular weight of 293.35 g/mol, XLogP of -0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-cyanopiperazin-1-yl)acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 79086401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).