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

C20H17F2N3O3S — CID 71262793

IUPAC2-(2,6-difluorophenyl)-N-[4-(oxan-4-yloxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1OC1CCOCC1)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C20H17F2N3O3S/c21-13-2-1-3-14(22)18(13)20-25-16(11-29-20)19(26)24-15-10-23-7-4-17(15)28-12-5-8-27-9-6-12/h1-4,7,10-12H,5-6,8-9H2,(H,24,26)
InChIKeyLRPIEIXQEJCTBD-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.29
Rot. Bonds5

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

2-(2,6-difluorophenyl)-N-[4-(oxan-4-yloxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 71262793) has the molecular formula C20H17F2N3O3S and a molecular weight of 417.44 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N-[4-(oxan-4-yloxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N-[4-(oxan-4-yloxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID71262793
Molecular FormulaC20H17F2N3O3S
Molecular Weight417.44 g/mol
Exact Mass417.10
IUPAC Name2-(2,6-difluorophenyl)-N-[4-(oxan-4-yloxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cnccc1OC1CCOCC1)c1csc(-c2c(F)cccc2F)n1
InChIInChI=1S/C20H17F2N3O3S/c21-13-2-1-3-14(22)18(13)20-25-16(11-29-20)19(26)24-15-10-23-7-4-17(15)28-12-5-8-27-9-6-12/h1-4,7,10-12H,5-6,8-9H2,(H,24,26)
InChIKeyLRPIEIXQEJCTBD-UHFFFAOYSA-N
XLogP4.29
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
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-yloxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-N-[4-(oxan-4-yloxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide (CID 71262793) is 2-(2,6-difluorophenyl)-N-[4-(oxan-4-yloxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N-[4-(oxan-4-yloxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-N-[4-(oxan-4-yloxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide is O=C(Nc1cnccc1OC1CCOCC1)c1csc(-c2c(F)cccc2F)n1.
What is the InChIKey of 2-(2,6-difluorophenyl)-N-[4-(oxan-4-yloxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LRPIEIXQEJCTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O3S/c21-13-2-1-3-14(22)18(13)20-25-16(11-29-20)19(26)24-15-10-23-7-4-17(15)28-12-5-8-27-9-6-12/h1-4,7,10-12H,5-6,8-9H2,(H,24,26).
What are the key properties of 2-(2,6-difluorophenyl)-N-[4-(oxan-4-yloxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
2-(2,6-difluorophenyl)-N-[4-(oxan-4-yloxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 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-yloxy)-3-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71262793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).