3-amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide

C10H14F3N3OS2 — CID 103422806

IUPAC3-amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
SMILESCSc1c(N(C)CCC(F)(F)F)sc(C(N)=O)c1N
InChIInChI=1S/C10H14F3N3OS2/c1-16(4-3-10(11,12)13)9-7(18-2)5(14)6(19-9)8(15)17/h3-4,14H2,1-2H3,(H2,15,17)
InChIKeyABVHWNACEFKUAK-UHFFFAOYSA-N
MW313.37 g/mol
LogP2.54
Rot. Bonds5

About 3-amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide

3-amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide (PubChem CID 103422806) has the molecular formula C10H14F3N3OS2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 3-amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
PubChem CID103422806
Molecular FormulaC10H14F3N3OS2
Molecular Weight313.37 g/mol
Exact Mass313.05
IUPAC Name3-amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
SMILESCSc1c(N(C)CCC(F)(F)F)sc(C(N)=O)c1N
InChIInChI=1S/C10H14F3N3OS2/c1-16(4-3-10(11,12)13)9-7(18-2)5(14)6(19-9)8(15)17/h3-4,14H2,1-2H3,(H2,15,17)
InChIKeyABVHWNACEFKUAK-UHFFFAOYSA-N
XLogP2.54
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-Amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carboxamide
CID 103421857
4-Amino-2-[methyl(3,3,3-trifluoropropyl)amino]-5-propanoylthiophene-3-carbonitrile
CID 103422797
4-Amino-5-cyano-2-[methyl(3,3,3-trifluoropropyl)amino]thiophene-3-carboxamide
CID 103422798
1-[3-Amino-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]ethanone
CID 103422799
3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103422800
3-amino-N,N-dimethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
CID 103422801
3-amino-5-[methyl(3,3,3-trifluoropropyl)amino]-N-propylthiophene-2-carboxamide
CID 103422802
3-Amino-4-cyclopropyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
CID 103422803
1-[3-Amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]ethanone
CID 103422805
1-[3-Amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophen-2-yl]propan-1-one
CID 103422807
3-amino-4-cyano-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
CID 103422810
3-amino-N,N-dimethyl-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
CID 103422814

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide (CID 103422806) is 3-amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide is CSc1c(N(C)CCC(F)(F)F)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide?
The InChIKey is ABVHWNACEFKUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS2/c1-16(4-3-10(11,12)13)9-7(18-2)5(14)6(19-9)8(15)17/h3-4,14H2,1-2H3,(H2,15,17).
What are the key properties of 3-amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide?
3-amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide has a molecular weight of 313.37 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 103422806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).