3-amino-4-cyano-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxamide

C13H18N4OS — CID 103506254

IUPAC3-amino-4-cyano-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxamide
SMILESCC(C)C1CCN(c2sc(C(N)=O)c(N)c2C#N)C1
InChIInChI=1S/C13H18N4OS/c1-7(2)8-3-4-17(6-8)13-9(5-14)10(15)11(19-13)12(16)18/h7-8H,3-4,6,15H2,1-2H3,(H2,16,18)
InChIKeyORLJXQFRLPAOPW-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.78
Rot. Bonds3

About 3-amino-4-cyano-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxamide

3-amino-4-cyano-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxamide (PubChem CID 103506254) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-amino-4-cyano-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxamide
PubChem CID103506254
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name3-amino-4-cyano-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxamide
SMILESCC(C)C1CCN(c2sc(C(N)=O)c(N)c2C#N)C1
InChIInChI=1S/C13H18N4OS/c1-7(2)8-3-4-17(6-8)13-9(5-14)10(15)11(19-13)12(16)18/h7-8H,3-4,6,15H2,1-2H3,(H2,16,18)
InChIKeyORLJXQFRLPAOPW-UHFFFAOYSA-N
XLogP1.78
TPSA96.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxamide (CID 103506254) is 3-amino-4-cyano-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxamide is CC(C)C1CCN(c2sc(C(N)=O)c(N)c2C#N)C1.
What is the InChIKey of 3-amino-4-cyano-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxamide?
The InChIKey is ORLJXQFRLPAOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-7(2)8-3-4-17(6-8)13-9(5-14)10(15)11(19-13)12(16)18/h7-8H,3-4,6,15H2,1-2H3,(H2,16,18).
What are the key properties of 3-amino-4-cyano-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxamide?
3-amino-4-cyano-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyano-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 103506254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).