1-(2-fluoro-6-methylphenyl)-5-[5-(4-fluoro-2-methylphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]pyridin-2-one

C28H27F2N3OS — CID 149191220

IUPAC1-(2-fluoro-6-methylphenyl)-5-[5-(4-fluoro-2-methylphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]pyridin-2-one
SMILESCc1cc(F)ccc1-c1sc(C2CCN(C)CC2)nc1-c1ccc(=O)n(-c2c(C)cccc2F)c1
InChIInChI=1S/C28H27F2N3OS/c1-17-5-4-6-23(30)26(17)33-16-20(7-10-24(33)34)25-27(22-9-8-21(29)15-18(22)2)35-28(31-25)19-11-13-32(3)14-12-19/h4-10,15-16,19H,11-14H2,1-3H3
InChIKeyXCWFKRAGLJYDAO-UHFFFAOYSA-N
MW491.61 g/mol
LogP6.33
Rot. Bonds4

About 1-(2-fluoro-6-methylphenyl)-5-[5-(4-fluoro-2-methylphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]pyridin-2-one

1-(2-fluoro-6-methylphenyl)-5-[5-(4-fluoro-2-methylphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]pyridin-2-one (PubChem CID 149191220) has the molecular formula C28H27F2N3OS and a molecular weight of 491.61 g/mol. Its IUPAC name is 1-(2-fluoro-6-methylphenyl)-5-[5-(4-fluoro-2-methylphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-(2-fluoro-6-methylphenyl)-5-[5-(4-fluoro-2-methylphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]pyridin-2-one
PubChem CID149191220
Molecular FormulaC28H27F2N3OS
Molecular Weight491.61 g/mol
Exact Mass491.18
IUPAC Name1-(2-fluoro-6-methylphenyl)-5-[5-(4-fluoro-2-methylphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]pyridin-2-one
SMILESCc1cc(F)ccc1-c1sc(C2CCN(C)CC2)nc1-c1ccc(=O)n(-c2c(C)cccc2F)c1
InChIInChI=1S/C28H27F2N3OS/c1-17-5-4-6-23(30)26(17)33-16-20(7-10-24(33)34)25-27(22-9-8-21(29)15-18(22)2)35-28(31-25)19-11-13-32(3)14-12-19/h4-10,15-16,19H,11-14H2,1-3H3
InChIKeyXCWFKRAGLJYDAO-UHFFFAOYSA-N
XLogP6.33
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.61
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methylphenyl)-5-[5-(4-fluoro-2-methylphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]pyridin-2-one?
The IUPAC name of 1-(2-fluoro-6-methylphenyl)-5-[5-(4-fluoro-2-methylphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]pyridin-2-one (CID 149191220) is 1-(2-fluoro-6-methylphenyl)-5-[5-(4-fluoro-2-methylphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]pyridin-2-one.
What is the SMILES notation for 1-(2-fluoro-6-methylphenyl)-5-[5-(4-fluoro-2-methylphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]pyridin-2-one?
The canonical SMILES for 1-(2-fluoro-6-methylphenyl)-5-[5-(4-fluoro-2-methylphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]pyridin-2-one is Cc1cc(F)ccc1-c1sc(C2CCN(C)CC2)nc1-c1ccc(=O)n(-c2c(C)cccc2F)c1.
What is the InChIKey of 1-(2-fluoro-6-methylphenyl)-5-[5-(4-fluoro-2-methylphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]pyridin-2-one?
The InChIKey is XCWFKRAGLJYDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2N3OS/c1-17-5-4-6-23(30)26(17)33-16-20(7-10-24(33)34)25-27(22-9-8-21(29)15-18(22)2)35-28(31-25)19-11-13-32(3)14-12-19/h4-10,15-16,19H,11-14H2,1-3H3.
What are the key properties of 1-(2-fluoro-6-methylphenyl)-5-[5-(4-fluoro-2-methylphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]pyridin-2-one?
1-(2-fluoro-6-methylphenyl)-5-[5-(4-fluoro-2-methylphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]pyridin-2-one has a molecular weight of 491.61 g/mol, XLogP of 6.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methylphenyl)-5-[5-(4-fluoro-2-methylphenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]pyridin-2-one is sourced from PubChem (CID 149191220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).