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

C12H18F3N3OS2 — CID 103422814

IUPAC3-amino-N,N-dimethyl-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
SMILESCSc1c(N(C)CCC(F)(F)F)sc(C(=O)N(C)C)c1N
InChIInChI=1S/C12H18F3N3OS2/c1-17(2)10(19)8-7(16)9(20-4)11(21-8)18(3)6-5-12(13,14)15/h5-6,16H2,1-4H3
InChIKeyXDPIMAFHUBUJSQ-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.14
Rot. Bonds5

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

3-amino-N,N-dimethyl-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide (PubChem CID 103422814) has the molecular formula C12H18F3N3OS2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
PubChem CID103422814
Molecular FormulaC12H18F3N3OS2
Molecular Weight341.42 g/mol
Exact Mass341.08
IUPAC Name3-amino-N,N-dimethyl-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
SMILESCSc1c(N(C)CCC(F)(F)F)sc(C(=O)N(C)C)c1N
InChIInChI=1S/C12H18F3N3OS2/c1-17(2)10(19)8-7(16)9(20-4)11(21-8)18(3)6-5-12(13,14)15/h5-6,16H2,1-4H3
InChIKeyXDPIMAFHUBUJSQ-UHFFFAOYSA-N
XLogP3.14
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-amino-N,N-dimethyl-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide with MolForge

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Related Compounds

3-amino-N-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiophene-2-carboxamide
CID 103421861
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
3-Amino-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
CID 103422806
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-4-cyano-N-methyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
CID 103422818

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-N,N-dimethyl-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide (CID 103422814) is 3-amino-N,N-dimethyl-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N,N-dimethyl-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide is CSc1c(N(C)CCC(F)(F)F)sc(C(=O)N(C)C)c1N.
What is the InChIKey of 3-amino-N,N-dimethyl-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide?
The InChIKey is XDPIMAFHUBUJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3OS2/c1-17(2)10(19)8-7(16)9(20-4)11(21-8)18(3)6-5-12(13,14)15/h5-6,16H2,1-4H3.
What are the key properties of 3-amino-N,N-dimethyl-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide?
3-amino-N,N-dimethyl-4-methylsulfanyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 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-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 103422814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).