2-[(4-fluoro-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide

C16H12FN3OS — CID 25127144

IUPAC2-[(4-fluoro-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1Nc1cc(F)ccn1
InChIInChI=1S/C16H12FN3OS/c17-11-6-7-19-14(8-11)20-16-12(15(18)21)9-13(22-16)10-4-2-1-3-5-10/h1-9H,(H2,18,21)(H,19,20)
InChIKeyBMKQUIYXVMJNGT-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.79
Rot. Bonds4

About 2-[(4-fluoro-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide

2-[(4-fluoro-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide (PubChem CID 25127144) has the molecular formula C16H12FN3OS and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[(4-fluoro-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(4-fluoro-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
PubChem CID25127144
Molecular FormulaC16H12FN3OS
Molecular Weight313.36 g/mol
Exact Mass313.07
IUPAC Name2-[(4-fluoro-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1Nc1cc(F)ccn1
InChIInChI=1S/C16H12FN3OS/c17-11-6-7-19-14(8-11)20-16-12(15(18)21)9-13(22-16)10-4-2-1-3-5-10/h1-9H,(H2,18,21)(H,19,20)
InChIKeyBMKQUIYXVMJNGT-UHFFFAOYSA-N
XLogP3.79
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-[(4-fluoro-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide (CID 25127144) is 2-[(4-fluoro-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-[(4-fluoro-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-[(4-fluoro-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide is NC(=O)c1cc(-c2ccccc2)sc1Nc1cc(F)ccn1.
What is the InChIKey of 2-[(4-fluoro-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide?
The InChIKey is BMKQUIYXVMJNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3OS/c17-11-6-7-19-14(8-11)20-16-12(15(18)21)9-13(22-16)10-4-2-1-3-5-10/h1-9H,(H2,18,21)(H,19,20).
What are the key properties of 2-[(4-fluoro-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide?
2-[(4-fluoro-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-pyridinyl)amino]-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 25127144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).