2-(2,6-difluorophenyl)-N-[4-(oxan-4-ylcarbamoyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide

C21H18F2N4O3S — CID 71262605

IUPAC2-(2,6-difluorophenyl)-N-[4-(oxan-4-ylcarbamoyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1C(=O)NC1CCOCC1)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C21H18F2N4O3S/c22-14-2-1-3-15(23)18(14)21-27-17(11-31-21)20(29)26-16-10-24-7-4-13(16)19(28)25-12-5-8-30-9-6-12/h1-4,7,10-12H,5-6,8-9H2,(H,25,28)(H,26,29)
InChIKeyCGAGDCFFLPLYSB-UHFFFAOYSA-N
MW444.46 g/mol
LogP3.64
Rot. Bonds5

About 2-(2,6-difluorophenyl)-N-[4-(oxan-4-ylcarbamoyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide

2-(2,6-difluorophenyl)-N-[4-(oxan-4-ylcarbamoyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 71262605) has the molecular formula C21H18F2N4O3S and a molecular weight of 444.46 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-[4-(oxan-4-ylcarbamoyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-[4-(oxan-4-ylcarbamoyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID71262605
Molecular FormulaC21H18F2N4O3S
Molecular Weight444.46 g/mol
Exact Mass444.11
IUPAC Name2-(2,6-difluorophenyl)-N-[4-(oxan-4-ylcarbamoyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1C(=O)NC1CCOCC1)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C21H18F2N4O3S/c22-14-2-1-3-15(23)18(14)21-27-17(11-31-21)20(29)26-16-10-24-7-4-13(16)19(28)25-12-5-8-30-9-6-12/h1-4,7,10-12H,5-6,8-9H2,(H,25,28)(H,26,29)
InChIKeyCGAGDCFFLPLYSB-UHFFFAOYSA-N
XLogP3.64
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N-[4-(oxan-4-ylcarbamoyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-[4-(oxan-4-ylcarbamoyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide (CID 71262605) is 2-(2,6-difluorophenyl)-N-[4-(oxan-4-ylcarbamoyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-[4-(oxan-4-ylcarbamoyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-[4-(oxan-4-ylcarbamoyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide is O=C(Nc1cnccc1C(=O)NC1CCOCC1)c1csc(-c2c(F)cccc2F)n1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-[4-(oxan-4-ylcarbamoyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is CGAGDCFFLPLYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O3S/c22-14-2-1-3-15(23)18(14)21-27-17(11-31-21)20(29)26-16-10-24-7-4-13(16)19(28)25-12-5-8-30-9-6-12/h1-4,7,10-12H,5-6,8-9H2,(H,25,28)(H,26,29).
What are the key properties of 2-(2,6-difluorophenyl)-N-[4-(oxan-4-ylcarbamoyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
2-(2,6-difluorophenyl)-N-[4-(oxan-4-ylcarbamoyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 444.46 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N-[4-(oxan-4-ylcarbamoyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71262605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).