5-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide

C17H12F3N3OS — CID 25127784

IUPAC5-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C17H12F3N3OS/c18-17(19,20)13-7-4-8-14(22-13)23-16-11(15(21)24)9-12(25-16)10-5-2-1-3-6-10/h1-9H,(H2,21,24)(H,22,23)
InChIKeyKRUHDWCIWRXWRL-UHFFFAOYSA-N
MW363.36 g/mol
LogP4.67
Rot. Bonds4

About 5-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide

5-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 25127784) has the molecular formula C17H12F3N3OS and a molecular weight of 363.36 g/mol. Its IUPAC name is 5-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
PubChem CID25127784
Molecular FormulaC17H12F3N3OS
Molecular Weight363.36 g/mol
Exact Mass363.07
IUPAC Name5-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C17H12F3N3OS/c18-17(19,20)13-7-4-8-14(22-13)23-16-11(15(21)24)9-12(25-16)10-5-2-1-3-6-10/h1-9H,(H2,21,24)(H,22,23)
InChIKeyKRUHDWCIWRXWRL-UHFFFAOYSA-N
XLogP4.67
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25127463
5-phenyl-2-(pyridin-2-ylamino)thiophene-3-carboxamide
CID 25127137
5-(2,5-dichlorophenyl)-2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25127786
5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(2,2,2-trifluoro-1-hydroxyethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 59525739
5-phenyl-2-[(2-sulfanylacetyl)amino]thiophene-3-carboxamide
CID 87897926
5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-methoxy-1,5-naphthyridin-2-yl)amino]thiophene-3-carboxamide
CID 44555128
5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[6-(hydroxymethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25123485
2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-pyridin-1-ium-4-ylthiophene-3-carboxamide
CID 163556947
2-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]-5-(4-pyridin-4-ylphenyl)thiophene-3-carboxamide
CID 25124467
5-[4-(acetamidomethyl)phenyl]-2-[[6-[(2-hydroxy-2-methylpropoxy)methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
CID 59526175
2-[(4-methylphenyl)carbamoylamino]-5-phenylthiophene-3-carboxamide
CID 118729460
5-[4-(2-hydroxypropan-2-yl)phenyl]-2-[(6-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl)amino]thiophene-3-carboxamide
CID 44554286

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The IUPAC name of 5-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide (CID 25127784) is 5-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide is NC(=O)c1cc(-c2ccccc2)sc1Nc1cccc(C(F)(F)F)n1.
What is the InChIKey of 5-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The InChIKey is KRUHDWCIWRXWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3OS/c18-17(19,20)13-7-4-8-14(22-13)23-16-11(15(21)24)9-12(25-16)10-5-2-1-3-6-10/h1-9H,(H2,21,24)(H,22,23).
What are the key properties of 5-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide?
5-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 363.36 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 25127784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).