methyl 2-(pyrazine-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

C14H13N3O3S — CID 822711

IUPACmethyl 2-(pyrazine-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2cnccn2)sc2c1CCC2
InChIInChI=1S/C14H13N3O3S/c1-20-14(19)11-8-3-2-4-10(8)21-13(11)17-12(18)9-7-15-5-6-16-9/h5-7H,2-4H2,1H3,(H,17,18)
InChIKeyDXGVXPRQBVQIDT-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.07
Rot. Bonds3

About methyl 2-(pyrazine-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

methyl 2-(pyrazine-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (PubChem CID 822711) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is methyl 2-(pyrazine-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(pyrazine-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
PubChem CID822711
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Namemethyl 2-(pyrazine-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2cnccn2)sc2c1CCC2
InChIInChI=1S/C14H13N3O3S/c1-20-14(19)11-8-3-2-4-10(8)21-13(11)17-12(18)9-7-15-5-6-16-9/h5-7H,2-4H2,1H3,(H,17,18)
InChIKeyDXGVXPRQBVQIDT-UHFFFAOYSA-N
XLogP2.07
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(3-Ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 2413606
[2-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 2684835
Isopropyl 4-(3-methylphenyl)-2-[(2-pyrazinylcarbonyl)amino]-3-thiophenecarboxylate
CID 1225702
3-((3-(Ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)pyrazine-2-carboxylic acid
CID 3535870
Dimethyl 3-methyl-5-[(2-pyrazinylcarbonyl)amino]-2,4-thiophenedicarboxylate
CID 897880
Ethyl 5-ethyl-4-methyl-2-[[2-(pyridin-2-ylmethylamino)acetyl]amino]thiophene-3-carboxylate
CID 2110610
[2-[(3-ethoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate
CID 2568416
[2-[(3-Ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 7985595
Isopropyl 5-methyl-4-phenyl-2-[(2-pyrazinylcarbonyl)amino]-3-thiophenecarboxylate
CID 1028315
methyl 2-(pyridine-3-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 718813
Dipropan-2-yl 3-methyl-5-(pyrazine-2-carbonylamino)thiophene-2,4-dicarboxylate
CID 1358931
methyl 2-{[(pyridin-2-ylmethyl)carbamothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 971892

Frequently Asked Questions

What is the IUPAC name of methyl 2-(pyrazine-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The IUPAC name of methyl 2-(pyrazine-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CID 822711) is methyl 2-(pyrazine-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-(pyrazine-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-(pyrazine-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is COC(=O)c1c(NC(=O)c2cnccn2)sc2c1CCC2.
What is the InChIKey of methyl 2-(pyrazine-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The InChIKey is DXGVXPRQBVQIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-20-14(19)11-8-3-2-4-10(8)21-13(11)17-12(18)9-7-15-5-6-16-9/h5-7H,2-4H2,1H3,(H,17,18).
What are the key properties of methyl 2-(pyrazine-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
methyl 2-(pyrazine-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate has a molecular weight of 303.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(pyrazine-2-carbonylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is sourced from PubChem (CID 822711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).