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

C11H17F2N3OS2 — CID 103505794

IUPAC3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(NCC(F)F)c(SC)c1N
InChIInChI=1S/C11H17F2N3OS2/c1-3-4-15-10(17)8-7(14)9(18-2)11(19-8)16-5-6(12)13/h6,16H,3-5,14H2,1-2H3,(H,15,17)
InChIKeyFDNFBVYCARZAJT-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.87
Rot. Bonds7

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

3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-propylthiophene-2-carboxamide (PubChem CID 103505794) has the molecular formula C11H17F2N3OS2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-propylthiophene-2-carboxamide
PubChem CID103505794
Molecular FormulaC11H17F2N3OS2
Molecular Weight309.41 g/mol
Exact Mass309.08
IUPAC Name3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(NCC(F)F)c(SC)c1N
InChIInChI=1S/C11H17F2N3OS2/c1-3-4-15-10(17)8-7(14)9(18-2)11(19-8)16-5-6(12)13/h6,16H,3-5,14H2,1-2H3,(H,15,17)
InChIKeyFDNFBVYCARZAJT-UHFFFAOYSA-N
XLogP2.87
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
CID 103505802
3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanylthiophene-2-carboxamide
CID 103505688
3-amino-5-(hexylamino)-4-methylsulfanyl-N-propylthiophene-2-carboxamide
CID 103420142
3-amino-5-(2,2-difluoroethylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103505749
methyl 4-amino-2-(2,2-difluoroethylamino)-5-(propylcarbamoyl)thiophene-3-carboxylate
CID 103505674
3-amino-N-ethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide
CID 103425798
1-[3-amino-4-methylsulfanyl-5-(propylamino)thiophen-2-yl]propan-1-one
CID 103423070
3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide
CID 103506771
3-amino-N-ethyl-5-(2-methylprop-2-enylamino)-4-methylsulfanylthiophene-2-carboxamide
CID 103507338
3-amino-5-(4-methylpiperazin-1-yl)-4-methylsulfanyl-N-propylthiophene-2-carboxamide
CID 103419384
3-amino-5-(2-methylpropylamino)-4-methylsulfanylthiophene-2-carboxamide
CID 103423765
3-amino-5-(2-methylpropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103423850

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-propylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-propylthiophene-2-carboxamide (CID 103505794) is 3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-propylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-propylthiophene-2-carboxamide is CCCNC(=O)c1sc(NCC(F)F)c(SC)c1N.
What is the InChIKey of 3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-propylthiophene-2-carboxamide?
The InChIKey is FDNFBVYCARZAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3OS2/c1-3-4-15-10(17)8-7(14)9(18-2)11(19-8)16-5-6(12)13/h6,16H,3-5,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-propylthiophene-2-carboxamide?
3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-propylthiophene-2-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 2.87, 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-propylthiophene-2-carboxamide is sourced from PubChem (CID 103505794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).