7-[[4-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C19H17F2N3O2S — CID 47056138

IUPAC7-[[4-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cc(F)ccc1F)C1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C19H17F2N3O2S/c20-13-1-2-16(21)15(9-13)18(26)12-3-5-23(6-4-12)11-14-10-17(25)24-7-8-27-19(24)22-14/h1-2,7-10,12H,3-6,11H2
InChIKeyIQYLIHBFXJINHV-UHFFFAOYSA-N
MW389.43 g/mol
LogP3.13
Rot. Bonds4

About 7-[[4-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[4-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 47056138) has the molecular formula C19H17F2N3O2S and a molecular weight of 389.43 g/mol. Its IUPAC name is 7-[[4-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[4-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID47056138
Molecular FormulaC19H17F2N3O2S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name7-[[4-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cc(F)ccc1F)C1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C19H17F2N3O2S/c20-13-1-2-16(21)15(9-13)18(26)12-3-5-23(6-4-12)11-14-10-17(25)24-7-8-27-19(24)22-14/h1-2,7-10,12H,3-6,11H2
InChIKeyIQYLIHBFXJINHV-UHFFFAOYSA-N
XLogP3.13
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[4-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 47056138) is 7-[[4-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[4-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[4-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C(c1cc(F)ccc1F)C1CCN(Cc2cc(=O)n3ccsc3n2)CC1.
What is the InChIKey of 7-[[4-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is IQYLIHBFXJINHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2S/c20-13-1-2-16(21)15(9-13)18(26)12-3-5-23(6-4-12)11-14-10-17(25)24-7-8-27-19(24)22-14/h1-2,7-10,12H,3-6,11H2.
What are the key properties of 7-[[4-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[4-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 389.43 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(2,5-difluorobenzoyl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 47056138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).