5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(4-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide

C19H16F3N3O2S — CID 25128117

IUPAC5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(4-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide
SMILESCC(CO)c1cc(F)c(-c2cc(C(N)=O)c(Nc3cc(F)ccn3)s2)c(F)c1
InChIInChI=1S/C19H16F3N3O2S/c1-9(8-26)10-4-13(21)17(14(22)5-10)15-7-12(18(23)27)19(28-15)25-16-6-11(20)2-3-24-16/h2-7,9,26H,8H2,1H3,(H2,23,27)(H,24,25)
InChIKeyKWBIYGFRAZICOO-UHFFFAOYSA-N
MW407.42 g/mol
LogP4.17
Rot. Bonds6

About 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(4-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide

5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(4-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide (PubChem CID 25128117) has the molecular formula C19H16F3N3O2S and a molecular weight of 407.42 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(4-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(4-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide
PubChem CID25128117
Molecular FormulaC19H16F3N3O2S
Molecular Weight407.42 g/mol
Exact Mass407.09
IUPAC Name5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(4-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide
SMILESCC(CO)c1cc(F)c(-c2cc(C(N)=O)c(Nc3cc(F)ccn3)s2)c(F)c1
InChIInChI=1S/C19H16F3N3O2S/c1-9(8-26)10-4-13(21)17(14(22)5-10)15-7-12(18(23)27)19(28-15)25-16-6-11(20)2-3-24-16/h2-7,9,26H,8H2,1H3,(H2,23,27)(H,24,25)
InChIKeyKWBIYGFRAZICOO-UHFFFAOYSA-N
XLogP4.17
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(4-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide with MolForge

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Related Compounds

2-(2,2-dimethylpropanoylamino)-N-pyridin-2-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2174274
2-(butanoylamino)-N-(pyridin-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3153379
5-Phenyl-2-(pyridin-2-ylamino)thiophene-3-carboxamide
CID 25127137
2-[(4-Methyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
CID 25127139
2-[(5-Methyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
CID 25127140
2-[(5-Fluoro-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
CID 25127142
2-[(4-Fluoro-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
CID 25127144
2-[(5-Cyano-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
CID 25127461
2-[(5-Methylsulfonyl-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
CID 25127785
Ethyl 2-({[(4-methyl-2-pyridinyl)amino]carbothioyl}amino)-5-phenyl-3-thiophenecarboxylate
CID 990430
2-[3-(4-fluorophenyl)propanoylamino]-N-(2-pyridyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 76310342
2-[(phenylcarbonyl)amino]-N-(pyridin-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 1268401

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(4-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide?
The IUPAC name of 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(4-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide (CID 25128117) is 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(4-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(4-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(4-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide is CC(CO)c1cc(F)c(-c2cc(C(N)=O)c(Nc3cc(F)ccn3)s2)c(F)c1.
What is the InChIKey of 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(4-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide?
The InChIKey is KWBIYGFRAZICOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2S/c1-9(8-26)10-4-13(21)17(14(22)5-10)15-7-12(18(23)27)19(28-15)25-16-6-11(20)2-3-24-16/h2-7,9,26H,8H2,1H3,(H2,23,27)(H,24,25).
What are the key properties of 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(4-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide?
5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(4-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide has a molecular weight of 407.42 g/mol, XLogP of 4.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-difluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[(4-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 25128117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).