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

C22H26FN3O2S — CID 161120481

IUPAC6-[2-[4-(4-fluorobenzoyl)-4-methylpiperidin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2n(c(=O)c1CCN1CCC(C)(C(=O)c3ccc(F)cc3)CC1)CCS2
InChIInChI=1S/C22H26FN3O2S/c1-15-18(20(28)26-13-14-29-21(26)24-15)7-10-25-11-8-22(2,9-12-25)19(27)16-3-5-17(23)6-4-16/h3-6H,7-14H2,1-2H3
InChIKeyUKWPPPNBHPERLK-UHFFFAOYSA-N
MW415.53 g/mol
LogP3.32
Rot. Bonds5

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

6-[2-[4-(4-fluorobenzoyl)-4-methylpiperidin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 161120481) has the molecular formula C22H26FN3O2S and a molecular weight of 415.53 g/mol. Its IUPAC name is 6-[2-[4-(4-fluorobenzoyl)-4-methylpiperidin-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)-4-methylpiperidin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID161120481
Molecular FormulaC22H26FN3O2S
Molecular Weight415.53 g/mol
Exact Mass415.17
IUPAC Name6-[2-[4-(4-fluorobenzoyl)-4-methylpiperidin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2n(c(=O)c1CCN1CCC(C)(C(=O)c3ccc(F)cc3)CC1)CCS2
InChIInChI=1S/C22H26FN3O2S/c1-15-18(20(28)26-13-14-29-21(26)24-15)7-10-25-11-8-22(2,9-12-25)19(27)16-3-5-17(23)6-4-16/h3-6H,7-14H2,1-2H3
InChIKeyUKWPPPNBHPERLK-UHFFFAOYSA-N
XLogP3.32
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 53.32
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)-4-methylpiperidin-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)-4-methylpiperidin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 161120481) is 6-[2-[4-(4-fluorobenzoyl)-4-methylpiperidin-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)-4-methylpiperidin-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)-4-methylpiperidin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nc2n(c(=O)c1CCN1CCC(C)(C(=O)c3ccc(F)cc3)CC1)CCS2.
What is the InChIKey of 6-[2-[4-(4-fluorobenzoyl)-4-methylpiperidin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is UKWPPPNBHPERLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2S/c1-15-18(20(28)26-13-14-29-21(26)24-15)7-10-25-11-8-22(2,9-12-25)19(27)16-3-5-17(23)6-4-16/h3-6H,7-14H2,1-2H3.
What are the key properties of 6-[2-[4-(4-fluorobenzoyl)-4-methylpiperidin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[2-[4-(4-fluorobenzoyl)-4-methylpiperidin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 415.53 g/mol, XLogP of 3.32, 5 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)-4-methylpiperidin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 161120481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).