3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanylthiophene-2-carboxamide

C8H11F2N3OS2 — CID 103505688

IUPAC3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanylthiophene-2-carboxamide
SMILESCSc1c(NCC(F)F)sc(C(N)=O)c1N
InChIInChI=1S/C8H11F2N3OS2/c1-15-6-4(11)5(7(12)14)16-8(6)13-2-3(9)10/h3,13H,2,11H2,1H3,(H2,12,14)
InChIKeyGHGBVFRXDDADBK-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.83
Rot. Bonds5

About 3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanylthiophene-2-carboxamide

3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanylthiophene-2-carboxamide (PubChem CID 103505688) has the molecular formula C8H11F2N3OS2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanylthiophene-2-carboxamide
PubChem CID103505688
Molecular FormulaC8H11F2N3OS2
Molecular Weight267.33 g/mol
Exact Mass267.03
IUPAC Name3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanylthiophene-2-carboxamide
SMILESCSc1c(NCC(F)F)sc(C(N)=O)c1N
InChIInChI=1S/C8H11F2N3OS2/c1-15-6-4(11)5(7(12)14)16-8(6)13-2-3(9)10/h3,13H,2,11H2,1H3,(H2,12,14)
InChIKeyGHGBVFRXDDADBK-UHFFFAOYSA-N
XLogP1.83
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanylthiophene-2-carboxamide (CID 103505688) is 3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanylthiophene-2-carboxamide is CSc1c(NCC(F)F)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanylthiophene-2-carboxamide?
The InChIKey is GHGBVFRXDDADBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3OS2/c1-15-6-4(11)5(7(12)14)16-8(6)13-2-3(9)10/h3,13H,2,11H2,1H3,(H2,12,14).
What are the key properties of 3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanylthiophene-2-carboxamide?
3-amino-5-(2,2-difluoroethylamino)-4-methylsulfanylthiophene-2-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 1.83, 5 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-methylsulfanylthiophene-2-carboxamide is sourced from PubChem (CID 103505688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).