5-acetyl-4-amino-2-(2-pyrazol-1-ylethylamino)thiophene-3-carboxamide

C12H15N5O2S — CID 103507969

IUPAC5-acetyl-4-amino-2-(2-pyrazol-1-ylethylamino)thiophene-3-carboxamide
SMILESCC(=O)c1sc(NCCn2cccn2)c(C(N)=O)c1N
InChIInChI=1S/C12H15N5O2S/c1-7(18)10-9(13)8(11(14)19)12(20-10)15-4-6-17-5-2-3-16-17/h2-3,5,15H,4,6,13H2,1H3,(H2,14,19)
InChIKeyOAPCWJJMWJNAJZ-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.94
Rot. Bonds6

About 5-acetyl-4-amino-2-(2-pyrazol-1-ylethylamino)thiophene-3-carboxamide

5-acetyl-4-amino-2-(2-pyrazol-1-ylethylamino)thiophene-3-carboxamide (PubChem CID 103507969) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 5-acetyl-4-amino-2-(2-pyrazol-1-ylethylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-4-amino-2-(2-pyrazol-1-ylethylamino)thiophene-3-carboxamide
PubChem CID103507969
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name5-acetyl-4-amino-2-(2-pyrazol-1-ylethylamino)thiophene-3-carboxamide
SMILESCC(=O)c1sc(NCCn2cccn2)c(C(N)=O)c1N
InChIInChI=1S/C12H15N5O2S/c1-7(18)10-9(13)8(11(14)19)12(20-10)15-4-6-17-5-2-3-16-17/h2-3,5,15H,4,6,13H2,1H3,(H2,14,19)
InChIKeyOAPCWJJMWJNAJZ-UHFFFAOYSA-N
XLogP0.94
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-amino-4-propan-2-yloxy-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]ethanone
CID 103507970
methyl 3-amino-4-methylsulfanyl-5-(2-pyrazol-1-ylethylamino)thiophene-2-carboxylate
CID 103507973
methyl 3-amino-4-cyano-5-(2-pyrazol-1-ylethylamino)thiophene-2-carboxylate
CID 103508015
1-[3-amino-4-methylsulfanyl-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103507965
3-amino-5-(2-pyrazol-1-ylethylamino)thiophene-2-carboxamide
CID 103507981
5-acetyl-4-amino-2-[3-(dimethylamino)propylamino]thiophene-3-carboxamide
CID 103426230
1-[3-amino-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]propan-1-one
CID 103507976
3-amino-5-methyl-N-(2-pyrazol-1-ylethyl)-1-benzothiophene-2-carboxamide
CID 107932262
4-amino-2-(ethylamino)-5-propanoylthiophene-3-carboxamide
CID 103424451
4-amino-2-(ethylamino)-N-(3-pyrazol-1-ylpropyl)-1,3-thiazole-5-carboxamide
CID 116672549
3-amino-5-(2-propan-2-yloxyethylamino)thiophene-2,4-dicarboxamide
CID 103506465
4-amino-3-(2-pyrazol-1-ylethylamino)benzamide
CID 63356229

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-amino-2-(2-pyrazol-1-ylethylamino)thiophene-3-carboxamide?
The IUPAC name of 5-acetyl-4-amino-2-(2-pyrazol-1-ylethylamino)thiophene-3-carboxamide (CID 103507969) is 5-acetyl-4-amino-2-(2-pyrazol-1-ylethylamino)thiophene-3-carboxamide.
What is the SMILES notation for 5-acetyl-4-amino-2-(2-pyrazol-1-ylethylamino)thiophene-3-carboxamide?
The canonical SMILES for 5-acetyl-4-amino-2-(2-pyrazol-1-ylethylamino)thiophene-3-carboxamide is CC(=O)c1sc(NCCn2cccn2)c(C(N)=O)c1N.
What is the InChIKey of 5-acetyl-4-amino-2-(2-pyrazol-1-ylethylamino)thiophene-3-carboxamide?
The InChIKey is OAPCWJJMWJNAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-7(18)10-9(13)8(11(14)19)12(20-10)15-4-6-17-5-2-3-16-17/h2-3,5,15H,4,6,13H2,1H3,(H2,14,19).
What are the key properties of 5-acetyl-4-amino-2-(2-pyrazol-1-ylethylamino)thiophene-3-carboxamide?
5-acetyl-4-amino-2-(2-pyrazol-1-ylethylamino)thiophene-3-carboxamide has a molecular weight of 293.35 g/mol, XLogP of 0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-amino-2-(2-pyrazol-1-ylethylamino)thiophene-3-carboxamide is sourced from PubChem (CID 103507969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).