3-amino-4-cyano-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide

C9H8F4N4OS — CID 106296507

IUPAC3-amino-4-cyano-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide
SMILESN#Cc1c(NCC(F)(F)C(F)F)sc(C(N)=O)c1N
InChIInChI=1S/C9H8F4N4OS/c10-8(11)9(12,13)2-17-7-3(1-14)4(15)5(19-7)6(16)18/h8,17H,2,15H2,(H2,16,18)
InChIKeyKSHACKLWJXRISI-UHFFFAOYSA-N
MW296.25 g/mol
LogP1.61
Rot. Bonds5

About 3-amino-4-cyano-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide

3-amino-4-cyano-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide (PubChem CID 106296507) has the molecular formula C9H8F4N4OS and a molecular weight of 296.25 g/mol. Its IUPAC name is 3-amino-4-cyano-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide
PubChem CID106296507
Molecular FormulaC9H8F4N4OS
Molecular Weight296.25 g/mol
Exact Mass296.04
IUPAC Name3-amino-4-cyano-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide
SMILESN#Cc1c(NCC(F)(F)C(F)F)sc(C(N)=O)c1N
InChIInChI=1S/C9H8F4N4OS/c10-8(11)9(12,13)2-17-7-3(1-14)4(15)5(19-7)6(16)18/h8,17H,2,15H2,(H2,16,18)
InChIKeyKSHACKLWJXRISI-UHFFFAOYSA-N
XLogP1.61
TPSA104.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

5-acetyl-4-amino-2-(2,2,3,3-tetrafluoropropylamino)thiophene-3-carbonitrile
CID 106296531
methyl 3-amino-4-cyano-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxylate
CID 106296514
3-amino-4-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide
CID 106296564
3-amino-5-(butylamino)-4-cyanothiophene-2-carboxamide
CID 103425232
4-amino-5-propanoyl-2-(2,2,3,3-tetrafluoropropylamino)thiophene-3-carboxamide
CID 106296533
3-amino-4-cyano-N-cyclopropyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide
CID 103425757
methyl 4-amino-5-cyano-2-(2,2,3,3-tetrafluoropropylamino)thiophene-3-carboxylate
CID 106296505
3-amino-4-cyano-5-[(2-methylphenyl)methylamino]thiophene-2-carboxamide
CID 103432089
3-amino-4-cyano-5-(2,2-difluoroethylamino)-N,N-dimethylthiophene-2-carboxamide
CID 103505773
3-amino-4-cyano-5-(1-pyrrolidin-1-ylpropan-2-ylamino)thiophene-2-carboxamide
CID 103508485
3-amino-4-cyano-5-[(3-methylcyclopentyl)methylamino]thiophene-2-carboxamide
CID 107416225
3-amino-4-cyano-5-(octan-4-ylamino)thiophene-2-carboxamide
CID 106029310

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide (CID 106296507) is 3-amino-4-cyano-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide is N#Cc1c(NCC(F)(F)C(F)F)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-4-cyano-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide?
The InChIKey is KSHACKLWJXRISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4N4OS/c10-8(11)9(12,13)2-17-7-3(1-14)4(15)5(19-7)6(16)18/h8,17H,2,15H2,(H2,16,18).
What are the key properties of 3-amino-4-cyano-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide?
3-amino-4-cyano-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide has a molecular weight of 296.25 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyano-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide is sourced from PubChem (CID 106296507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).