2-amino-N-(5-chloropyrazin-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

C12H11ClN4OS — CID 135200335

IUPAC2-amino-N-(5-chloropyrazin-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESNc1sc2c(c1C(=O)Nc1cnc(Cl)cn1)CCC2
InChIInChI=1S/C12H11ClN4OS/c13-8-4-16-9(5-15-8)17-12(18)10-6-2-1-3-7(6)19-11(10)14/h4-5H,1-3,14H2,(H,16,17,18)
InChIKeyGIPOBQBHQSTYCV-UHFFFAOYSA-N
MW294.77 g/mol
LogP2.51
Rot. Bonds2

About 2-amino-N-(5-chloropyrazin-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

2-amino-N-(5-chloropyrazin-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (PubChem CID 135200335) has the molecular formula C12H11ClN4OS and a molecular weight of 294.77 g/mol. Its IUPAC name is 2-amino-N-(5-chloropyrazin-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(5-chloropyrazin-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
PubChem CID135200335
Molecular FormulaC12H11ClN4OS
Molecular Weight294.77 g/mol
Exact Mass294.03
IUPAC Name2-amino-N-(5-chloropyrazin-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
SMILESNc1sc2c(c1C(=O)Nc1cnc(Cl)cn1)CCC2
InChIInChI=1S/C12H11ClN4OS/c13-8-4-16-9(5-15-8)17-12(18)10-6-2-1-3-7(6)19-11(10)14/h4-5H,1-3,14H2,(H,16,17,18)
InChIKeyGIPOBQBHQSTYCV-UHFFFAOYSA-N
XLogP2.51
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.77
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2,5-dichlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 4514007
2-amino-N-cyclohexyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 843789
2-amino-N-(4-bromophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1007059
2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 5151249
1-(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)ethanone
CID 65354676
3,5-dichloro-N-(5-chloropyrazin-2-yl)benzamide
CID 104964163
2-amino-N-(2-methoxyphenyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
CID 17380384
N-(5-chloropyrazin-2-yl)-5-methylthiophene-2-carboxamide
CID 104964172
2-amino-N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 843554
(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(4-methylphenyl)methanone
CID 860207
2-amino-N'-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbohydrazide
CID 54587438
N-(5-chloropyrazin-2-yl)-3-methylthiophene-2-carboxamide
CID 104964205

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-chloropyrazin-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The IUPAC name of 2-amino-N-(5-chloropyrazin-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide (CID 135200335) is 2-amino-N-(5-chloropyrazin-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide.
What is the SMILES notation for 2-amino-N-(5-chloropyrazin-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The canonical SMILES for 2-amino-N-(5-chloropyrazin-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is Nc1sc2c(c1C(=O)Nc1cnc(Cl)cn1)CCC2.
What is the InChIKey of 2-amino-N-(5-chloropyrazin-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
The InChIKey is GIPOBQBHQSTYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4OS/c13-8-4-16-9(5-15-8)17-12(18)10-6-2-1-3-7(6)19-11(10)14/h4-5H,1-3,14H2,(H,16,17,18).
What are the key properties of 2-amino-N-(5-chloropyrazin-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide?
2-amino-N-(5-chloropyrazin-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide has a molecular weight of 294.77 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-chloropyrazin-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide is sourced from PubChem (CID 135200335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).