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

C10H13N5OS — CID 103507981

IUPAC3-amino-5-(2-pyrazol-1-ylethylamino)thiophene-2-carboxamide
SMILESNC(=O)c1sc(NCCn2cccn2)cc1N
InChIInChI=1S/C10H13N5OS/c11-7-6-8(17-9(7)10(12)16)13-3-5-15-4-1-2-14-15/h1-2,4,6,13H,3,5,11H2,(H2,12,16)
InChIKeyBCSISJDLDIZPHD-UHFFFAOYSA-N
MW251.32 g/mol
LogP0.74
Rot. Bonds5

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

3-amino-5-(2-pyrazol-1-ylethylamino)thiophene-2-carboxamide (PubChem CID 103507981) has the molecular formula C10H13N5OS and a molecular weight of 251.32 g/mol. Its IUPAC name is 3-amino-5-(2-pyrazol-1-ylethylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(2-pyrazol-1-ylethylamino)thiophene-2-carboxamide
PubChem CID103507981
Molecular FormulaC10H13N5OS
Molecular Weight251.32 g/mol
Exact Mass251.08
IUPAC Name3-amino-5-(2-pyrazol-1-ylethylamino)thiophene-2-carboxamide
SMILESNC(=O)c1sc(NCCn2cccn2)cc1N
InChIInChI=1S/C10H13N5OS/c11-7-6-8(17-9(7)10(12)16)13-3-5-15-4-1-2-14-15/h1-2,4,6,13H,3,5,11H2,(H2,12,16)
InChIKeyBCSISJDLDIZPHD-UHFFFAOYSA-N
XLogP0.74
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-amino-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]propan-1-one
CID 103507976
3-amino-5-(3-imidazol-1-ylpropylamino)thiophene-2-carboxamide
CID 103426808
4-amino-3-(2-pyrazol-1-ylethylamino)benzamide
CID 63356229
5-acetyl-4-amino-2-(2-pyrazol-1-ylethylamino)thiophene-3-carboxamide
CID 103507969
5-amino-2-(2-pyrazol-1-ylethylamino)pyridine-3-carboxamide
CID 54951840
1-[3-amino-4-methylsulfanyl-5-(2-pyrazol-1-ylethylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103507965
methyl 3-amino-4-methylsulfanyl-5-(2-pyrazol-1-ylethylamino)thiophene-2-carboxylate
CID 103507973
3-amino-5-[2-[di(propan-2-yl)amino]ethylamino]thiophene-2-carboxamide
CID 103424880
1-[3-amino-5-(propylamino)thiophen-2-yl]propan-1-one
CID 103423162
methyl 3-amino-4-cyano-5-(2-pyrazol-1-ylethylamino)thiophene-2-carboxylate
CID 103508015
4-methyl-2-(2-pyrazol-1-ylethylamino)-1,3-thiazole-5-carboxylic acid
CID 80569708
2-methylsulfanyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-4,6-diamine
CID 80808551

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-pyrazol-1-ylethylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(2-pyrazol-1-ylethylamino)thiophene-2-carboxamide (CID 103507981) is 3-amino-5-(2-pyrazol-1-ylethylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(2-pyrazol-1-ylethylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(2-pyrazol-1-ylethylamino)thiophene-2-carboxamide is NC(=O)c1sc(NCCn2cccn2)cc1N.
What is the InChIKey of 3-amino-5-(2-pyrazol-1-ylethylamino)thiophene-2-carboxamide?
The InChIKey is BCSISJDLDIZPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c11-7-6-8(17-9(7)10(12)16)13-3-5-15-4-1-2-14-15/h1-2,4,6,13H,3,5,11H2,(H2,12,16).
What are the key properties of 3-amino-5-(2-pyrazol-1-ylethylamino)thiophene-2-carboxamide?
3-amino-5-(2-pyrazol-1-ylethylamino)thiophene-2-carboxamide has a molecular weight of 251.32 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-pyrazol-1-ylethylamino)thiophene-2-carboxamide is sourced from PubChem (CID 103507981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).