4-amino-5-cyano-2-(propan-2-ylamino)thiophene-3-carboxamide

C9H12N4OS — CID 103423198

IUPAC4-amino-5-cyano-2-(propan-2-ylamino)thiophene-3-carboxamide
SMILESCC(C)Nc1sc(C#N)c(N)c1C(N)=O
InChIInChI=1S/C9H12N4OS/c1-4(2)13-9-6(8(12)14)7(11)5(3-10)15-9/h4,13H,11H2,1-2H3,(H2,12,14)
InChIKeyXUCITMIOBPKNEG-UHFFFAOYSA-N
MW224.29 g/mol
LogP1.12
Rot. Bonds3

About 4-amino-5-cyano-2-(propan-2-ylamino)thiophene-3-carboxamide

4-amino-5-cyano-2-(propan-2-ylamino)thiophene-3-carboxamide (PubChem CID 103423198) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is 4-amino-5-cyano-2-(propan-2-ylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyano-2-(propan-2-ylamino)thiophene-3-carboxamide
PubChem CID103423198
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC Name4-amino-5-cyano-2-(propan-2-ylamino)thiophene-3-carboxamide
SMILESCC(C)Nc1sc(C#N)c(N)c1C(N)=O
InChIInChI=1S/C9H12N4OS/c1-4(2)13-9-6(8(12)14)7(11)5(3-10)15-9/h4,13H,11H2,1-2H3,(H2,12,14)
InChIKeyXUCITMIOBPKNEG-UHFFFAOYSA-N
XLogP1.12
TPSA104.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyano-2-(propan-2-ylamino)thiophene-3-carboxamide?
The IUPAC name of 4-amino-5-cyano-2-(propan-2-ylamino)thiophene-3-carboxamide (CID 103423198) is 4-amino-5-cyano-2-(propan-2-ylamino)thiophene-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyano-2-(propan-2-ylamino)thiophene-3-carboxamide?
The canonical SMILES for 4-amino-5-cyano-2-(propan-2-ylamino)thiophene-3-carboxamide is CC(C)Nc1sc(C#N)c(N)c1C(N)=O.
What is the InChIKey of 4-amino-5-cyano-2-(propan-2-ylamino)thiophene-3-carboxamide?
The InChIKey is XUCITMIOBPKNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-4(2)13-9-6(8(12)14)7(11)5(3-10)15-9/h4,13H,11H2,1-2H3,(H2,12,14).
What are the key properties of 4-amino-5-cyano-2-(propan-2-ylamino)thiophene-3-carboxamide?
4-amino-5-cyano-2-(propan-2-ylamino)thiophene-3-carboxamide has a molecular weight of 224.29 g/mol, XLogP of 1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyano-2-(propan-2-ylamino)thiophene-3-carboxamide is sourced from PubChem (CID 103423198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).