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

C25H25N3O3S — CID 47056619

IUPAC7-[[4-(4-methoxyphenoxy)piperidin-1-yl]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1ccc(OC2CCN(Cc3cc(=O)n4c(-c5ccccc5)csc4n3)CC2)cc1
InChIInChI=1S/C25H25N3O3S/c1-30-20-7-9-21(10-8-20)31-22-11-13-27(14-12-22)16-19-15-24(29)28-23(17-32-25(28)26-19)18-5-3-2-4-6-18/h2-10,15,17,22H,11-14,16H2,1H3
InChIKeyPGQINOFGIACONU-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.47
Rot. Bonds6

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

7-[[4-(4-methoxyphenoxy)piperidin-1-yl]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 47056619) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is 7-[[4-(4-methoxyphenoxy)piperidin-1-yl]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[4-(4-methoxyphenoxy)piperidin-1-yl]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID47056619
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC Name7-[[4-(4-methoxyphenoxy)piperidin-1-yl]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1ccc(OC2CCN(Cc3cc(=O)n4c(-c5ccccc5)csc4n3)CC2)cc1
InChIInChI=1S/C25H25N3O3S/c1-30-20-7-9-21(10-8-20)31-22-11-13-27(14-12-22)16-19-15-24(29)28-23(17-32-25(28)26-19)18-5-3-2-4-6-18/h2-10,15,17,22H,11-14,16H2,1H3
InChIKeyPGQINOFGIACONU-UHFFFAOYSA-N
XLogP4.47
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(4-methoxyphenoxy)piperidin-1-yl]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[4-(4-methoxyphenoxy)piperidin-1-yl]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 47056619) is 7-[[4-(4-methoxyphenoxy)piperidin-1-yl]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[4-(4-methoxyphenoxy)piperidin-1-yl]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[4-(4-methoxyphenoxy)piperidin-1-yl]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is COc1ccc(OC2CCN(Cc3cc(=O)n4c(-c5ccccc5)csc4n3)CC2)cc1.
What is the InChIKey of 7-[[4-(4-methoxyphenoxy)piperidin-1-yl]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is PGQINOFGIACONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S/c1-30-20-7-9-21(10-8-20)31-22-11-13-27(14-12-22)16-19-15-24(29)28-23(17-32-25(28)26-19)18-5-3-2-4-6-18/h2-10,15,17,22H,11-14,16H2,1H3.
What are the key properties of 7-[[4-(4-methoxyphenoxy)piperidin-1-yl]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[4-(4-methoxyphenoxy)piperidin-1-yl]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 447.56 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(4-methoxyphenoxy)piperidin-1-yl]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 47056619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).