3-amino-5-(2,2-difluoroethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide

C11H15F2N3O2S — CID 103505711

IUPAC3-amino-5-(2,2-difluoroethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(NCC(F)F)c(OC)c1N
InChIInChI=1S/C11H15F2N3O2S/c1-3-4-15-10(17)9-7(14)8(18-2)11(19-9)16-5-6(12)13/h3,6,16H,1,4-5,14H2,2H3,(H,15,17)
InChIKeyUZTYJSAZBFWZGJ-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.93
Rot. Bonds7

About 3-amino-5-(2,2-difluoroethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide

3-amino-5-(2,2-difluoroethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide (PubChem CID 103505711) has the molecular formula C11H15F2N3O2S and a molecular weight of 291.32 g/mol. Its IUPAC name is 3-amino-5-(2,2-difluoroethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(2,2-difluoroethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide
PubChem CID103505711
Molecular FormulaC11H15F2N3O2S
Molecular Weight291.32 g/mol
Exact Mass291.09
IUPAC Name3-amino-5-(2,2-difluoroethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(NCC(F)F)c(OC)c1N
InChIInChI=1S/C11H15F2N3O2S/c1-3-4-15-10(17)9-7(14)8(18-2)11(19-9)16-5-6(12)13/h3,6,16H,1,4-5,14H2,2H3,(H,15,17)
InChIKeyUZTYJSAZBFWZGJ-UHFFFAOYSA-N
XLogP1.93
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-methoxy-5-(3-methylbutylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103425603
3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
CID 103505802
3-amino-4-methoxy-5-(3-methoxypropylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103426999
3-amino-5-(cyclopropylmethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide
CID 103424588
3-amino-4-methoxy-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide
CID 103510135
3-amino-5-(2,2-difluoroethylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103505749
3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide
CID 103424670
3-amino-5-(2,2-difluoroethylamino)-N-methyl-4-propan-2-yloxythiophene-2-carboxamide
CID 103505782
methyl 3-amino-5-(2,2-difluoroethylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103505710
3-amino-4-methoxy-5-[methyl(propyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103421284
3-amino-4-methoxy-5-[2-methoxyethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103417708
3-amino-4-methoxy-5-(4-methylpiperazin-1-yl)-N-prop-2-enylthiophene-2-carboxamide
CID 103419320

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2,2-difluoroethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(2,2-difluoroethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide (CID 103505711) is 3-amino-5-(2,2-difluoroethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(2,2-difluoroethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(2,2-difluoroethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide is C=CCNC(=O)c1sc(NCC(F)F)c(OC)c1N.
What is the InChIKey of 3-amino-5-(2,2-difluoroethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide?
The InChIKey is UZTYJSAZBFWZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O2S/c1-3-4-15-10(17)9-7(14)8(18-2)11(19-9)16-5-6(12)13/h3,6,16H,1,4-5,14H2,2H3,(H,15,17).
What are the key properties of 3-amino-5-(2,2-difluoroethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide?
3-amino-5-(2,2-difluoroethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide has a molecular weight of 291.32 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2,2-difluoroethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide is sourced from PubChem (CID 103505711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).