3-amino-N-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide

C11H13F4N3OS — CID 106296562

IUPAC3-amino-N-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide
SMILESNc1cc(NCC(F)(F)C(F)F)sc1C(=O)NC1CC1
InChIInChI=1S/C11H13F4N3OS/c12-10(13)11(14,15)4-17-7-3-6(16)8(20-7)9(19)18-5-1-2-5/h3,5,10,17H,1-2,4,16H2,(H,18,19)
InChIKeyLMSPHEDATPTWTK-UHFFFAOYSA-N
MW311.30 g/mol
LogP2.53
Rot. Bonds6

About 3-amino-N-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide

3-amino-N-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide (PubChem CID 106296562) has the molecular formula C11H13F4N3OS and a molecular weight of 311.30 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide
PubChem CID106296562
Molecular FormulaC11H13F4N3OS
Molecular Weight311.30 g/mol
Exact Mass311.07
IUPAC Name3-amino-N-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide
SMILESNc1cc(NCC(F)(F)C(F)F)sc1C(=O)NC1CC1
InChIInChI=1S/C11H13F4N3OS/c12-10(13)11(14,15)4-17-7-3-6(16)8(20-7)9(19)18-5-1-2-5/h3,5,10,17H,1-2,4,16H2,(H,18,19)
InChIKeyLMSPHEDATPTWTK-UHFFFAOYSA-N
XLogP2.53
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-cyclopropyl-5-(methylamino)thiophene-2-carboxamide
CID 103424255
3-amino-N-cyclopropyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide
CID 103432236
3-amino-N-cyclopropyl-5-(3-methylbut-2-enylamino)thiophene-2-carboxamide
CID 106199168
3-amino-N-cyclopropyl-5-(4-propan-2-yloxybutylamino)thiophene-2-carboxamide
CID 106017402
3-amino-N-cyclopropyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide
CID 103427442
3-amino-N-cyclopropyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
CID 103418986
3-amino-N-methyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide
CID 103505964
3-amino-4-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide
CID 106296564
3-amino-4-cyano-N-cyclopropyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide
CID 103425757
3-amino-N-propyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide
CID 103505955
3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-N-ethylthiophene-2-carboxamide
CID 103508810
3-amino-N-cyclopropyl-4-methoxy-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide
CID 103425826

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide (CID 106296562) is 3-amino-N-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide is Nc1cc(NCC(F)(F)C(F)F)sc1C(=O)NC1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide?
The InChIKey is LMSPHEDATPTWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4N3OS/c12-10(13)11(14,15)4-17-7-3-6(16)8(20-7)9(19)18-5-1-2-5/h3,5,10,17H,1-2,4,16H2,(H,18,19).
What are the key properties of 3-amino-N-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide?
3-amino-N-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide has a molecular weight of 311.30 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide is sourced from PubChem (CID 106296562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).