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

C11H15F2N3OS2 — CID 103505802

IUPAC3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(NCC(F)F)c(SC)c1N
InChIInChI=1S/C11H15F2N3OS2/c1-3-4-15-10(17)8-7(14)9(18-2)11(19-8)16-5-6(12)13/h3,6,16H,1,4-5,14H2,2H3,(H,15,17)
InChIKeyWGKNYAVZEKURJU-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.64
Rot. Bonds7

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

3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide (PubChem CID 103505802) has the molecular formula C11H15F2N3OS2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
PubChem CID103505802
Molecular FormulaC11H15F2N3OS2
Molecular Weight307.39 g/mol
Exact Mass307.06
IUPAC Name3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(NCC(F)F)c(SC)c1N
InChIInChI=1S/C11H15F2N3OS2/c1-3-4-15-10(17)8-7(14)9(18-2)11(19-8)16-5-6(12)13/h3,6,16H,1,4-5,14H2,2H3,(H,15,17)
InChIKeyWGKNYAVZEKURJU-UHFFFAOYSA-N
XLogP2.64
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.64
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-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-propylthiophene-2-carboxamide
CID 103505794
3-amino-5-(2,2-difluoroethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide
CID 103505711
3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanylthiophene-2-carboxamide
CID 103505688
3-amino-5-(cyclohexylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
CID 103423047
3-amino-N-ethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide
CID 103425798
3-amino-N-ethyl-5-(2-methylprop-2-enylamino)-4-methylsulfanylthiophene-2-carboxamide
CID 103507338
3-amino-5-(3-methylpyrrolidin-1-yl)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
CID 103509809
3-amino-5-(2-methylpropylamino)-4-methylsulfanylthiophene-2-carboxamide
CID 103423765
1-[3-amino-5-(3-methylbut-2-enylamino)-4-methylsulfanylthiophen-2-yl]ethanone
CID 106199132
3-amino-5-(hexylamino)-4-methylsulfanyl-N-propylthiophene-2-carboxamide
CID 103420142
3-amino-4-N-methyl-5-(propan-2-ylamino)-2-N-prop-2-enylthiophene-2,4-dicarboxamide
CID 103423232
3-amino-4-ethylsulfonyl-5-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
CID 103526630

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide (CID 103505802) is 3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide is C=CCNC(=O)c1sc(NCC(F)F)c(SC)c1N.
What is the InChIKey of 3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide?
The InChIKey is WGKNYAVZEKURJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3OS2/c1-3-4-15-10(17)8-7(14)9(18-2)11(19-8)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-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide?
3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 2.64, 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-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide is sourced from PubChem (CID 103505802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).