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

C13H21F2N3O2S — CID 103505749

IUPAC3-amino-5-(2,2-difluoroethylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(NCC(F)F)c(OC(C)C)c1N
InChIInChI=1S/C13H21F2N3O2S/c1-4-5-17-12(19)11-9(16)10(20-7(2)3)13(21-11)18-6-8(14)15/h7-8,18H,4-6,16H2,1-3H3,(H,17,19)
InChIKeyWGTHUOIXSGPBIF-UHFFFAOYSA-N
MW321.39 g/mol
LogP2.93
Rot. Bonds8

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

3-amino-5-(2,2-difluoroethylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide (PubChem CID 103505749) has the molecular formula C13H21F2N3O2S and a molecular weight of 321.39 g/mol. Its IUPAC name is 3-amino-5-(2,2-difluoroethylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(2,2-difluoroethylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
PubChem CID103505749
Molecular FormulaC13H21F2N3O2S
Molecular Weight321.39 g/mol
Exact Mass321.13
IUPAC Name3-amino-5-(2,2-difluoroethylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(NCC(F)F)c(OC(C)C)c1N
InChIInChI=1S/C13H21F2N3O2S/c1-4-5-17-12(19)11-9(16)10(20-7(2)3)13(21-11)18-6-8(14)15/h7-8,18H,4-6,16H2,1-3H3,(H,17,19)
InChIKeyWGTHUOIXSGPBIF-UHFFFAOYSA-N
XLogP2.93
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(2-methylpropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103423850
3-amino-5-(2,2-difluoroethylamino)-N-methyl-4-propan-2-yloxythiophene-2-carboxamide
CID 103505782
3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103423425
methyl 3-amino-5-(2,2-difluoroethylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103505710
methyl 4-amino-2-(2,2-difluoroethylamino)-5-(propylcarbamoyl)thiophene-3-carboxylate
CID 103505674
3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanyl-N-propylthiophene-2-carboxamide
CID 103505794
3-amino-5-(cyclopropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103423712
3-amino-5-(butylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide
CID 103425282
3-amino-5-ethylsulfanyl-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103417474
3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(propylamino)thiophene-2-carboxamide
CID 103423115
3-amino-5-(2,2-difluoroethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide
CID 103505711
methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-propan-2-yloxythiophene-2-carboxylate
CID 103506924

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2,2-difluoroethylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(2,2-difluoroethylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide (CID 103505749) is 3-amino-5-(2,2-difluoroethylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(2,2-difluoroethylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(2,2-difluoroethylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide is CCCNC(=O)c1sc(NCC(F)F)c(OC(C)C)c1N.
What is the InChIKey of 3-amino-5-(2,2-difluoroethylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide?
The InChIKey is WGTHUOIXSGPBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N3O2S/c1-4-5-17-12(19)11-9(16)10(20-7(2)3)13(21-11)18-6-8(14)15/h7-8,18H,4-6,16H2,1-3H3,(H,17,19).
What are the key properties of 3-amino-5-(2,2-difluoroethylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide?
3-amino-5-(2,2-difluoroethylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide has a molecular weight of 321.39 g/mol, XLogP of 2.93, 8 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-propan-2-yloxy-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 103505749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).