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

C11H16F3N3OS — CID 103422801

IUPAC3-amino-N,N-dimethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
SMILESCN(C)C(=O)c1sc(N(C)CCC(F)(F)F)cc1N
InChIInChI=1S/C11H16F3N3OS/c1-16(2)10(18)9-7(15)6-8(19-9)17(3)5-4-11(12,13)14/h6H,4-5,15H2,1-3H3
InChIKeyZZGFHUZZLLDGMB-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.42
Rot. Bonds4

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

3-amino-N,N-dimethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide (PubChem CID 103422801) has the molecular formula C11H16F3N3OS and a molecular weight of 295.33 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
PubChem CID103422801
Molecular FormulaC11H16F3N3OS
Molecular Weight295.33 g/mol
Exact Mass295.10
IUPAC Name3-amino-N,N-dimethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
SMILESCN(C)C(=O)c1sc(N(C)CCC(F)(F)F)cc1N
InChIInChI=1S/C11H16F3N3OS/c1-16(2)10(18)9-7(15)6-8(19-9)17(3)5-4-11(12,13)14/h6H,4-5,15H2,1-3H3
InChIKeyZZGFHUZZLLDGMB-UHFFFAOYSA-N
XLogP2.42
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-acetamido-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 18129589
4-amino-N-ethyl-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 55006353
3-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 55006979
4-amino-5-methyl-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 55150916
4-amino-N,5-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 61101958
3-amino-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 61101959
4-amino-N-butyl-5-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 61105280
3-amino-N-butyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 61105281
3-amino-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 61107703
4-amino-5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 61108496
3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 61108683
4-amino-5-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 61109259

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-N,N-dimethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide (CID 103422801) is 3-amino-N,N-dimethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N,N-dimethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide is CN(C)C(=O)c1sc(N(C)CCC(F)(F)F)cc1N.
What is the InChIKey of 3-amino-N,N-dimethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide?
The InChIKey is ZZGFHUZZLLDGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3OS/c1-16(2)10(18)9-7(15)6-8(19-9)17(3)5-4-11(12,13)14/h6H,4-5,15H2,1-3H3.
What are the key properties of 3-amino-N,N-dimethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide?
3-amino-N,N-dimethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide has a molecular weight of 295.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 103422801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).