N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide

C18H20N6OS — CID 35011024

IUPACN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
SMILESN#Cc1c(NC(=O)CN2CCN(c3cnccn3)CC2)sc2c1CCC2
InChIInChI=1S/C18H20N6OS/c19-10-14-13-2-1-3-15(13)26-18(14)22-17(25)12-23-6-8-24(9-7-23)16-11-20-4-5-21-16/h4-5,11H,1-3,6-9,12H2,(H,22,25)
InChIKeyHSEGDDFKYDCRNV-UHFFFAOYSA-N
MW368.47 g/mol
LogP1.66
Rot. Bonds4

About N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide (PubChem CID 35011024) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
PubChem CID35011024
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
SMILESN#Cc1c(NC(=O)CN2CCN(c3cnccn3)CC2)sc2c1CCC2
InChIInChI=1S/C18H20N6OS/c19-10-14-13-2-1-3-15(13)26-18(14)22-17(25)12-23-6-8-24(9-7-23)16-11-20-4-5-21-16/h4-5,11H,1-3,6-9,12H2,(H,22,25)
InChIKeyHSEGDDFKYDCRNV-UHFFFAOYSA-N
XLogP1.66
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 22199051
2-(4-acetylpiperazin-1-yl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
CID 2697586
2-(azocan-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 8583837
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide
CID 112801324
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 22198448
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 8546057
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-morpholin-4-ylacetamide
CID 705201
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide
CID 22195796
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195895
1-[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxamide
CID 7998586
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide
CID 55626327
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 3443144

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide (CID 35011024) is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide is N#Cc1c(NC(=O)CN2CCN(c3cnccn3)CC2)sc2c1CCC2.
What is the InChIKey of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is HSEGDDFKYDCRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c19-10-14-13-2-1-3-15(13)26-18(14)22-17(25)12-23-6-8-24(9-7-23)16-11-20-4-5-21-16/h4-5,11H,1-3,6-9,12H2,(H,22,25).
What are the key properties of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide?
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 368.47 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 35011024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).