dipropan-2-yl 3-methyl-5-(pyrazine-2-carbonylamino)thiophene-2,4-dicarboxylate

C18H21N3O5S — CID 1358931

IUPACdipropan-2-yl 3-methyl-5-(pyrazine-2-carbonylamino)thiophene-2,4-dicarboxylate
SMILESCc1c(C(=O)OC(C)C)sc(NC(=O)c2cnccn2)c1C(=O)OC(C)C
InChIInChI=1S/C18H21N3O5S/c1-9(2)25-17(23)13-11(5)14(18(24)26-10(3)4)27-16(13)21-15(22)12-8-19-6-7-20-12/h6-10H,1-5H3,(H,21,22)
InChIKeyDFLPZQWALKXRPG-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.23
Rot. Bonds6

About dipropan-2-yl 3-methyl-5-(pyrazine-2-carbonylamino)thiophene-2,4-dicarboxylate

dipropan-2-yl 3-methyl-5-(pyrazine-2-carbonylamino)thiophene-2,4-dicarboxylate (PubChem CID 1358931) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is dipropan-2-yl 3-methyl-5-(pyrazine-2-carbonylamino)thiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl 3-methyl-5-(pyrazine-2-carbonylamino)thiophene-2,4-dicarboxylate
PubChem CID1358931
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Namedipropan-2-yl 3-methyl-5-(pyrazine-2-carbonylamino)thiophene-2,4-dicarboxylate
SMILESCc1c(C(=O)OC(C)C)sc(NC(=O)c2cnccn2)c1C(=O)OC(C)C
InChIInChI=1S/C18H21N3O5S/c1-9(2)25-17(23)13-11(5)14(18(24)26-10(3)4)27-16(13)21-15(22)12-8-19-6-7-20-12/h6-10H,1-5H3,(H,21,22)
InChIKeyDFLPZQWALKXRPG-UHFFFAOYSA-N
XLogP3.23
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 2-[(2-pyrazinylcarbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 822711
[2-[(3-Ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] pyrazine-2-carboxylate
CID 2413606
Ethyl 5-acetyl-4-methyl-2-[(3-pyridinylcarbonyl)amino]-3-thiophenecarboxylate
CID 896008
Methyl 5-[(diethylamino)carbonyl]-2-(isonicotinoylamino)-4-methyl-3-thiophenecarboxylate
CID 1293939
Methyl 5-[(diethylamino)carbonyl]-4-methyl-2-[(3-pyridinylcarbonyl)amino]-3-thiophenecarboxylate
CID 1313057
Diethyl 3-methyl-5-[[2-(pyridin-2-ylmethylamino)acetyl]amino]thiophene-2,4-dicarboxylate
CID 2338868
Diethyl 3-methyl-5-[[2-(pyridin-3-ylmethylamino)acetyl]amino]thiophene-2,4-dicarboxylate
CID 2340009
[2-[[5-(Dimethylcarbamoyl)-3-ethoxycarbonyl-4-methylthiophen-2-yl]amino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate
CID 24979037
Ethyl 4-ethyl-5-methyl-2-(pyridine-3-carbonylamino)thiophene-3-carboxylate
CID 840043
Isopropyl 4-(3-methylphenyl)-2-[(2-pyrazinylcarbonyl)amino]-3-thiophenecarboxylate
CID 1225702
Methyl 5-[(dimethylamino)carbonyl]-4-methyl-2-[(3-pyridinylcarbonyl)amino]-3-thiophenecarboxylate
CID 2932963
Dimethyl 3-methyl-5-[(2-pyrazinylcarbonyl)amino]-2,4-thiophenedicarboxylate
CID 897880

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl 3-methyl-5-(pyrazine-2-carbonylamino)thiophene-2,4-dicarboxylate?
The IUPAC name of dipropan-2-yl 3-methyl-5-(pyrazine-2-carbonylamino)thiophene-2,4-dicarboxylate (CID 1358931) is dipropan-2-yl 3-methyl-5-(pyrazine-2-carbonylamino)thiophene-2,4-dicarboxylate.
What is the SMILES notation for dipropan-2-yl 3-methyl-5-(pyrazine-2-carbonylamino)thiophene-2,4-dicarboxylate?
The canonical SMILES for dipropan-2-yl 3-methyl-5-(pyrazine-2-carbonylamino)thiophene-2,4-dicarboxylate is Cc1c(C(=O)OC(C)C)sc(NC(=O)c2cnccn2)c1C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl 3-methyl-5-(pyrazine-2-carbonylamino)thiophene-2,4-dicarboxylate?
The InChIKey is DFLPZQWALKXRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-9(2)25-17(23)13-11(5)14(18(24)26-10(3)4)27-16(13)21-15(22)12-8-19-6-7-20-12/h6-10H,1-5H3,(H,21,22).
What are the key properties of dipropan-2-yl 3-methyl-5-(pyrazine-2-carbonylamino)thiophene-2,4-dicarboxylate?
dipropan-2-yl 3-methyl-5-(pyrazine-2-carbonylamino)thiophene-2,4-dicarboxylate has a molecular weight of 391.45 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl 3-methyl-5-(pyrazine-2-carbonylamino)thiophene-2,4-dicarboxylate is sourced from PubChem (CID 1358931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).