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

C11H13F4N3OS — CID 106296564

IUPAC3-amino-4-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide
SMILESNC(=O)c1sc(NCC(F)(F)C(F)F)c(C2CC2)c1N
InChIInChI=1S/C11H13F4N3OS/c12-10(13)11(14,15)3-18-9-5(4-1-2-4)6(16)7(20-9)8(17)19/h4,10,18H,1-3,16H2,(H2,17,19)
InChIKeyUFFAOCFULLAYTR-UHFFFAOYSA-N
MW311.30 g/mol
LogP2.62
Rot. Bonds6

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

3-amino-4-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide (PubChem CID 106296564) has the molecular formula C11H13F4N3OS and a molecular weight of 311.30 g/mol. Its IUPAC name is 3-amino-4-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide
PubChem CID106296564
Molecular FormulaC11H13F4N3OS
Molecular Weight311.30 g/mol
Exact Mass311.07
IUPAC Name3-amino-4-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide
SMILESNC(=O)c1sc(NCC(F)(F)C(F)F)c(C2CC2)c1N
InChIInChI=1S/C11H13F4N3OS/c12-10(13)11(14,15)3-18-9-5(4-1-2-4)6(16)7(20-9)8(17)19/h4,10,18H,1-3,16H2,(H2,17,19)
InChIKeyUFFAOCFULLAYTR-UHFFFAOYSA-N
XLogP2.62
TPSA81.14 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 ≤ 52.62
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-4-cyano-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide
CID 106296507
[3-amino-4-cyclopropyl-5-(2,2,2-trifluoroethylamino)thiophen-2-yl]-cyclopropylmethanone
CID 103425805
4-amino-5-propanoyl-2-(2,2,3,3-tetrafluoropropylamino)thiophene-3-carboxamide
CID 106296533
3-amino-4-cyclopropyl-5-[2-(diethylamino)ethylamino]thiophene-2-carboxamide
CID 103424766
1-[3-amino-4-cyclopropyl-5-(3,3,3-trifluoropropylamino)thiophen-2-yl]ethanone
CID 103526353
methyl 3-amino-4-cyano-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxylate
CID 106296514
3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide
CID 103526031
3-amino-4-cyclopropyl-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2-carboxamide
CID 106412968
3-amino-4-cyclopropyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide
CID 103426267
1-[3-amino-4-cyclopropyl-5-(4,4,4-trifluorobutylamino)thiophen-2-yl]propan-1-one
CID 103505948
3-amino-4-cyclopropyl-N-methyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide
CID 103505983
5-acetyl-4-amino-2-(2,2,3,3-tetrafluoropropylamino)thiophene-3-carbonitrile
CID 106296531

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide (CID 106296564) is 3-amino-4-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide is NC(=O)c1sc(NCC(F)(F)C(F)F)c(C2CC2)c1N.
What is the InChIKey of 3-amino-4-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide?
The InChIKey is UFFAOCFULLAYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4N3OS/c12-10(13)11(14,15)3-18-9-5(4-1-2-4)6(16)7(20-9)8(17)19/h4,10,18H,1-3,16H2,(H2,17,19).
What are the key properties of 3-amino-4-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide?
3-amino-4-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide has a molecular weight of 311.30 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide is sourced from PubChem (CID 106296564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).