5-fluoro-N-[4-[2-(oxan-4-yloxymethyl)-3-pyridinyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide

C20H19FN4O3S — CID 177213914

IUPAC5-fluoro-N-[4-[2-(oxan-4-yloxymethyl)-3-pyridinyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nc(-c2cccnc2COC2CCOCC2)cs1)c1ccc(F)cn1
InChIInChI=1S/C20H19FN4O3S/c21-13-3-4-16(23-10-13)19(26)25-20-24-18(12-29-20)15-2-1-7-22-17(15)11-28-14-5-8-27-9-6-14/h1-4,7,10,12,14H,5-6,8-9,11H2,(H,24,25,26)
InChIKeyIJLFSJPEANUAAK-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.69
Rot. Bonds6

About 5-fluoro-N-[4-[2-(oxan-4-yloxymethyl)-3-pyridinyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide

5-fluoro-N-[4-[2-(oxan-4-yloxymethyl)-3-pyridinyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide (PubChem CID 177213914) has the molecular formula C20H19FN4O3S and a molecular weight of 414.46 g/mol. Its IUPAC name is 5-fluoro-N-[4-[2-(oxan-4-yloxymethyl)-3-pyridinyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[4-[2-(oxan-4-yloxymethyl)-3-pyridinyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
PubChem CID177213914
Molecular FormulaC20H19FN4O3S
Molecular Weight414.46 g/mol
Exact Mass414.12
IUPAC Name5-fluoro-N-[4-[2-(oxan-4-yloxymethyl)-3-pyridinyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1nc(-c2cccnc2COC2CCOCC2)cs1)c1ccc(F)cn1
InChIInChI=1S/C20H19FN4O3S/c21-13-3-4-16(23-10-13)19(26)25-20-24-18(12-29-20)15-2-1-7-22-17(15)11-28-14-5-8-27-9-6-14/h1-4,7,10,12,14H,5-6,8-9,11H2,(H,24,25,26)
InChIKeyIJLFSJPEANUAAK-UHFFFAOYSA-N
XLogP3.69
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[4-[2-(oxan-4-yloxymethyl)-3-pyridinyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of 5-fluoro-N-[4-[2-(oxan-4-yloxymethyl)-3-pyridinyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide (CID 177213914) is 5-fluoro-N-[4-[2-(oxan-4-yloxymethyl)-3-pyridinyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[4-[2-(oxan-4-yloxymethyl)-3-pyridinyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[4-[2-(oxan-4-yloxymethyl)-3-pyridinyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide is O=C(Nc1nc(-c2cccnc2COC2CCOCC2)cs1)c1ccc(F)cn1.
What is the InChIKey of 5-fluoro-N-[4-[2-(oxan-4-yloxymethyl)-3-pyridinyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is IJLFSJPEANUAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3S/c21-13-3-4-16(23-10-13)19(26)25-20-24-18(12-29-20)15-2-1-7-22-17(15)11-28-14-5-8-27-9-6-14/h1-4,7,10,12,14H,5-6,8-9,11H2,(H,24,25,26).
What are the key properties of 5-fluoro-N-[4-[2-(oxan-4-yloxymethyl)-3-pyridinyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
5-fluoro-N-[4-[2-(oxan-4-yloxymethyl)-3-pyridinyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 414.46 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[4-[2-(oxan-4-yloxymethyl)-3-pyridinyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 177213914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).