2-(4,4-difluoropiperidin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide

C19H18F2N6OS — CID 57428377

IUPAC2-(4,4-difluoropiperidin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
SMILESO=C(CN1CCC(F)(F)CC1)Nc1cc(-c2nccs2)nc(-c2ccccn2)n1
InChIInChI=1S/C19H18F2N6OS/c20-19(21)4-8-27(9-5-19)12-16(28)25-15-11-14(18-23-7-10-29-18)24-17(26-15)13-3-1-2-6-22-13/h1-3,6-7,10-11H,4-5,8-9,12H2,(H,24,25,26,28)
InChIKeyOJZMXOIYFOWLKK-UHFFFAOYSA-N
MW416.46 g/mol
LogP3.33
Rot. Bonds5

About 2-(4,4-difluoropiperidin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide

2-(4,4-difluoropiperidin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide (PubChem CID 57428377) has the molecular formula C19H18F2N6OS and a molecular weight of 416.46 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
PubChem CID57428377
Molecular FormulaC19H18F2N6OS
Molecular Weight416.46 g/mol
Exact Mass416.12
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
SMILESO=C(CN1CCC(F)(F)CC1)Nc1cc(-c2nccs2)nc(-c2ccccn2)n1
InChIInChI=1S/C19H18F2N6OS/c20-19(21)4-8-27(9-5-19)12-16(28)25-15-11-14(18-23-7-10-29-18)24-17(26-15)13-3-1-2-6-22-13/h1-3,6-7,10-11H,4-5,8-9,12H2,(H,24,25,26,28)
InChIKeyOJZMXOIYFOWLKK-UHFFFAOYSA-N
XLogP3.33
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide (CID 57428377) is 2-(4,4-difluoropiperidin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide is O=C(CN1CCC(F)(F)CC1)Nc1cc(-c2nccs2)nc(-c2ccccn2)n1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
The InChIKey is OJZMXOIYFOWLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6OS/c20-19(21)4-8-27(9-5-19)12-16(28)25-15-11-14(18-23-7-10-29-18)24-17(26-15)13-3-1-2-6-22-13/h1-3,6-7,10-11H,4-5,8-9,12H2,(H,24,25,26,28).
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
2-(4,4-difluoropiperidin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide has a molecular weight of 416.46 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 57428377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).