3-hydroxy-N,N-dimethyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide

C14H13F3N2O2S — CID 158002779

IUPAC3-hydroxy-N,N-dimethyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide
SMILESCN(C)C(=O)C1=C(O)CS/C1=N\c1ccccc1C(F)(F)F
InChIInChI=1S/C14H13F3N2O2S/c1-19(2)13(21)11-10(20)7-22-12(11)18-9-6-4-3-5-8(9)14(15,16)17/h3-6,20H,7H2,1-2H3/b18-12-
InChIKeyRCCCXNQKJKOKLM-PDGQHHTCSA-N
MW330.33 g/mol
LogP3.38
Rot. Bonds2

About 3-hydroxy-N,N-dimethyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide

3-hydroxy-N,N-dimethyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide (PubChem CID 158002779) has the molecular formula C14H13F3N2O2S and a molecular weight of 330.33 g/mol. Its IUPAC name is 3-hydroxy-N,N-dimethyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N,N-dimethyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide
PubChem CID158002779
Molecular FormulaC14H13F3N2O2S
Molecular Weight330.33 g/mol
Exact Mass330.06
IUPAC Name3-hydroxy-N,N-dimethyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide
SMILESCN(C)C(=O)C1=C(O)CS/C1=N\c1ccccc1C(F)(F)F
InChIInChI=1S/C14H13F3N2O2S/c1-19(2)13(21)11-10(20)7-22-12(11)18-9-6-4-3-5-8(9)14(15,16)17/h3-6,20H,7H2,1-2H3/b18-12-
InChIKeyRCCCXNQKJKOKLM-PDGQHHTCSA-N
XLogP3.38
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-{1-[(2-methylphenyl)amino]ethylidene}-2,4(3H,5H)-thiophenedione
CID 135421545
N-(cyclopropylmethyl)-3-hydroxy-5-[4-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide
CID 136250314
N-cyclopropyl-3-hydroxy-5-[4-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide
CID 136250315
3-hydroxy-5-[4-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide
CID 136250319
1-[3-hydroxy-5-[3-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]ethanone
CID 136443467
N-cyclopropyl-3-hydroxy-5-[4-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide;ethane
CID 145580529
[3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-piperidin-1-ylmethanone
CID 158152152
3-hydroxy-N-methyl-N-phenyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide
CID 158591151
3-hydroxy-N-(2-methoxyethyl)-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide
CID 159190105
2-azabicyclo[2.2.2]octan-2-yl-[3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]methanone
CID 160325664
N-cyclohexyl-3-hydroxy-N-methyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide
CID 160924154
[3-hydroxy-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophen-4-yl]-morpholin-4-ylmethanone
CID 161056523

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N,N-dimethyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide?
The IUPAC name of 3-hydroxy-N,N-dimethyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide (CID 158002779) is 3-hydroxy-N,N-dimethyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide.
What is the SMILES notation for 3-hydroxy-N,N-dimethyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide?
The canonical SMILES for 3-hydroxy-N,N-dimethyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide is CN(C)C(=O)C1=C(O)CS/C1=N\c1ccccc1C(F)(F)F.
What is the InChIKey of 3-hydroxy-N,N-dimethyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide?
The InChIKey is RCCCXNQKJKOKLM-PDGQHHTCSA-N. The full InChI is InChI=1S/C14H13F3N2O2S/c1-19(2)13(21)11-10(20)7-22-12(11)18-9-6-4-3-5-8(9)14(15,16)17/h3-6,20H,7H2,1-2H3/b18-12-.
What are the key properties of 3-hydroxy-N,N-dimethyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide?
3-hydroxy-N,N-dimethyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide has a molecular weight of 330.33 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N,N-dimethyl-5-[2-(trifluoromethyl)phenyl]imino-2H-thiophene-4-carboxamide is sourced from PubChem (CID 158002779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).