3-amino-5-(2,2-difluoroethylamino)-N-methyl-4-propan-2-yloxythiophene-2-carboxamide

C11H17F2N3O2S — CID 103505782

IUPAC3-amino-5-(2,2-difluoroethylamino)-N-methyl-4-propan-2-yloxythiophene-2-carboxamide
SMILESCNC(=O)c1sc(NCC(F)F)c(OC(C)C)c1N
InChIInChI=1S/C11H17F2N3O2S/c1-5(2)18-8-7(14)9(10(17)15-3)19-11(8)16-4-6(12)13/h5-6,16H,4,14H2,1-3H3,(H,15,17)
InChIKeyVRZWFWGBZYDXLY-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.15
Rot. Bonds6

About 3-amino-5-(2,2-difluoroethylamino)-N-methyl-4-propan-2-yloxythiophene-2-carboxamide

3-amino-5-(2,2-difluoroethylamino)-N-methyl-4-propan-2-yloxythiophene-2-carboxamide (PubChem CID 103505782) has the molecular formula C11H17F2N3O2S and a molecular weight of 293.34 g/mol. Its IUPAC name is 3-amino-5-(2,2-difluoroethylamino)-N-methyl-4-propan-2-yloxythiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(2,2-difluoroethylamino)-N-methyl-4-propan-2-yloxythiophene-2-carboxamide
PubChem CID103505782
Molecular FormulaC11H17F2N3O2S
Molecular Weight293.34 g/mol
Exact Mass293.10
IUPAC Name3-amino-5-(2,2-difluoroethylamino)-N-methyl-4-propan-2-yloxythiophene-2-carboxamide
SMILESCNC(=O)c1sc(NCC(F)F)c(OC(C)C)c1N
InChIInChI=1S/C11H17F2N3O2S/c1-5(2)18-8-7(14)9(10(17)15-3)19-11(8)16-4-6(12)13/h5-6,16H,4,14H2,1-3H3,(H,15,17)
InChIKeyVRZWFWGBZYDXLY-UHFFFAOYSA-N
XLogP2.15
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-5-(2,2-difluoroethylamino)-N-methyl-4-propan-2-yloxythiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-amino-5-(2,2-difluoroethylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103505710
3-amino-5-(2,2-difluoroethylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103505749
methyl 4-amino-2-(2,2-difluoroethylamino)-5-(methylcarbamoyl)thiophene-3-carboxylate
CID 103505718
3-amino-5-(2-methylpropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103423850
4-amino-2-(2,2-difluoroethylamino)-N-methyl-5-(2-methylpropanoyl)thiophene-3-carboxamide
CID 103505734
ethyl 3-amino-5-(2,2-difluoroethylamino)-4-(methylcarbamoyl)thiophene-2-carboxylate
CID 103505715
3-amino-N-methyl-5-methylsulfanyl-4-propan-2-yloxythiophene-2-carboxamide
CID 103526749
methyl 3-amino-5-[2-(dimethylamino)propylamino]-4-propan-2-yloxythiophene-2-carboxylate
CID 103506924
3-amino-5-(2,2-difluoroethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide
CID 103505711
3-amino-N-methyl-5-(piperidin-4-ylamino)-4-propan-2-yloxythiophene-2-carboxamide
CID 103525562
methyl 4-amino-5-(methylcarbamoyl)-2-(2-methylpropylamino)thiophene-3-carboxylate
CID 103423814
3-amino-5-(butylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide
CID 103425282

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2,2-difluoroethylamino)-N-methyl-4-propan-2-yloxythiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(2,2-difluoroethylamino)-N-methyl-4-propan-2-yloxythiophene-2-carboxamide (CID 103505782) is 3-amino-5-(2,2-difluoroethylamino)-N-methyl-4-propan-2-yloxythiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(2,2-difluoroethylamino)-N-methyl-4-propan-2-yloxythiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(2,2-difluoroethylamino)-N-methyl-4-propan-2-yloxythiophene-2-carboxamide is CNC(=O)c1sc(NCC(F)F)c(OC(C)C)c1N.
What is the InChIKey of 3-amino-5-(2,2-difluoroethylamino)-N-methyl-4-propan-2-yloxythiophene-2-carboxamide?
The InChIKey is VRZWFWGBZYDXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O2S/c1-5(2)18-8-7(14)9(10(17)15-3)19-11(8)16-4-6(12)13/h5-6,16H,4,14H2,1-3H3,(H,15,17).
What are the key properties of 3-amino-5-(2,2-difluoroethylamino)-N-methyl-4-propan-2-yloxythiophene-2-carboxamide?
3-amino-5-(2,2-difluoroethylamino)-N-methyl-4-propan-2-yloxythiophene-2-carboxamide has a molecular weight of 293.34 g/mol, XLogP of 2.15, 6 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)-N-methyl-4-propan-2-yloxythiophene-2-carboxamide is sourced from PubChem (CID 103505782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).