6-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C20H23FN4O2S — CID 139824536

IUPAC6-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2n(c(=O)c1CCN1CCN(C(=O)c3ccc(F)cc3)CC1)CCS2
InChIInChI=1S/C20H23FN4O2S/c1-14-17(19(27)25-12-13-28-20(25)22-14)6-7-23-8-10-24(11-9-23)18(26)15-2-4-16(21)5-3-15/h2-5H,6-13H2,1H3
InChIKeyYWKQICIZETWODF-UHFFFAOYSA-N
MW402.50 g/mol
LogP1.80
Rot. Bonds4

About 6-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 139824536) has the molecular formula C20H23FN4O2S and a molecular weight of 402.50 g/mol. Its IUPAC name is 6-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID139824536
Molecular FormulaC20H23FN4O2S
Molecular Weight402.50 g/mol
Exact Mass402.15
IUPAC Name6-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2n(c(=O)c1CCN1CCN(C(=O)c3ccc(F)cc3)CC1)CCS2
InChIInChI=1S/C20H23FN4O2S/c1-14-17(19(27)25-12-13-28-20(25)22-14)6-7-23-8-10-24(11-9-23)18(26)15-2-4-16(21)5-3-15/h2-5H,6-13H2,1H3
InChIKeyYWKQICIZETWODF-UHFFFAOYSA-N
XLogP1.80
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 139824536) is 6-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nc2n(c(=O)c1CCN1CCN(C(=O)c3ccc(F)cc3)CC1)CCS2.
What is the InChIKey of 6-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is YWKQICIZETWODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2S/c1-14-17(19(27)25-12-13-28-20(25)22-14)6-7-23-8-10-24(11-9-23)18(26)15-2-4-16(21)5-3-15/h2-5H,6-13H2,1H3.
What are the key properties of 6-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 402.50 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 139824536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).