7-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C18H17F3N4O3S2 — CID 23004564

IUPAC7-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sccn2c(=O)c1S(=O)(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H17F3N4O3S2/c1-12-15(16(26)25-9-10-29-17(25)22-12)30(27,28)24-7-5-23(6-8-24)14-4-2-3-13(11-14)18(19,20)21/h2-4,9-11H,5-8H2,1H3
InChIKeyFZZPERUSOGRKIP-UHFFFAOYSA-N
MW458.49 g/mol
LogP2.59
Rot. Bonds3

About 7-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 23004564) has the molecular formula C18H17F3N4O3S2 and a molecular weight of 458.49 g/mol. Its IUPAC name is 7-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID23004564
Molecular FormulaC18H17F3N4O3S2
Molecular Weight458.49 g/mol
Exact Mass458.07
IUPAC Name7-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sccn2c(=O)c1S(=O)(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H17F3N4O3S2/c1-12-15(16(26)25-9-10-29-17(25)22-12)30(27,28)24-7-5-23(6-8-24)14-4-2-3-13(11-14)18(19,20)21/h2-4,9-11H,5-8H2,1H3
InChIKeyFZZPERUSOGRKIP-UHFFFAOYSA-N
XLogP2.59
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.49
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 23004564) is 7-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nc2sccn2c(=O)c1S(=O)(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 7-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is FZZPERUSOGRKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O3S2/c1-12-15(16(26)25-9-10-29-17(25)22-12)30(27,28)24-7-5-23(6-8-24)14-4-2-3-13(11-14)18(19,20)21/h2-4,9-11H,5-8H2,1H3.
What are the key properties of 7-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 458.49 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 23004564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).