3-amino-N,N-dimethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide

C10H14F3N3OS2 — CID 103425781

IUPAC3-amino-N,N-dimethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide
SMILESCSc1c(NCC(F)(F)F)sc(C(=O)N(C)C)c1N
InChIInChI=1S/C10H14F3N3OS2/c1-16(2)9(17)7-5(14)6(18-3)8(19-7)15-4-10(11,12)13/h15H,4,14H2,1-3H3
InChIKeyUIOZMAZPNSKING-UHFFFAOYSA-N
MW313.37 g/mol
LogP2.73
Rot. Bonds4

About 3-amino-N,N-dimethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide

3-amino-N,N-dimethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide (PubChem CID 103425781) has the molecular formula C10H14F3N3OS2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide
PubChem CID103425781
Molecular FormulaC10H14F3N3OS2
Molecular Weight313.37 g/mol
Exact Mass313.05
IUPAC Name3-amino-N,N-dimethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide
SMILESCSc1c(NCC(F)(F)F)sc(C(=O)N(C)C)c1N
InChIInChI=1S/C10H14F3N3OS2/c1-16(2)9(17)7-5(14)6(18-3)8(19-7)15-4-10(11,12)13/h15H,4,14H2,1-3H3
InChIKeyUIOZMAZPNSKING-UHFFFAOYSA-N
XLogP2.73
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N,N-dimethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide (CID 103425781) is 3-amino-N,N-dimethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N,N-dimethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide is CSc1c(NCC(F)(F)F)sc(C(=O)N(C)C)c1N.
What is the InChIKey of 3-amino-N,N-dimethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide?
The InChIKey is UIOZMAZPNSKING-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS2/c1-16(2)9(17)7-5(14)6(18-3)8(19-7)15-4-10(11,12)13/h15H,4,14H2,1-3H3.
What are the key properties of 3-amino-N,N-dimethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide?
3-amino-N,N-dimethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide has a molecular weight of 313.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-4-methylsulfanyl-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide is sourced from PubChem (CID 103425781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).