4-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-morpholin-4-yl-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one

C24H21F3N4O2S — CID 66780001

IUPAC4-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-morpholin-4-yl-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESCc1c(Cn2c(-c3ccccc3)nc(=O)c3sc(N4CCOCC4)nc32)cccc1C(F)(F)F
InChIInChI=1S/C24H21F3N4O2S/c1-15-17(8-5-9-18(15)24(25,26)27)14-31-20(16-6-3-2-4-7-16)28-22(32)19-21(31)29-23(34-19)30-10-12-33-13-11-30/h2-9H,10-14H2,1H3
InChIKeyBDCNAXLMFQLTFB-UHFFFAOYSA-N
MW486.52 g/mol
LogP4.73
Rot. Bonds4

About 4-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-morpholin-4-yl-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one

4-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-morpholin-4-yl-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one (PubChem CID 66780001) has the molecular formula C24H21F3N4O2S and a molecular weight of 486.52 g/mol. Its IUPAC name is 4-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-morpholin-4-yl-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-morpholin-4-yl-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
PubChem CID66780001
Molecular FormulaC24H21F3N4O2S
Molecular Weight486.52 g/mol
Exact Mass486.13
IUPAC Name4-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-morpholin-4-yl-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESCc1c(Cn2c(-c3ccccc3)nc(=O)c3sc(N4CCOCC4)nc32)cccc1C(F)(F)F
InChIInChI=1S/C24H21F3N4O2S/c1-15-17(8-5-9-18(15)24(25,26)27)14-31-20(16-6-3-2-4-7-16)28-22(32)19-21(31)29-23(34-19)30-10-12-33-13-11-30/h2-9H,10-14H2,1H3
InChIKeyBDCNAXLMFQLTFB-UHFFFAOYSA-N
XLogP4.73
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.52
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-morpholin-4-yl-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 4-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-morpholin-4-yl-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CID 66780001) is 4-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-morpholin-4-yl-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 4-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-morpholin-4-yl-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 4-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-morpholin-4-yl-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one is Cc1c(Cn2c(-c3ccccc3)nc(=O)c3sc(N4CCOCC4)nc32)cccc1C(F)(F)F.
What is the InChIKey of 4-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-morpholin-4-yl-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The InChIKey is BDCNAXLMFQLTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O2S/c1-15-17(8-5-9-18(15)24(25,26)27)14-31-20(16-6-3-2-4-7-16)28-22(32)19-21(31)29-23(34-19)30-10-12-33-13-11-30/h2-9H,10-14H2,1H3.
What are the key properties of 4-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-morpholin-4-yl-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
4-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-morpholin-4-yl-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one has a molecular weight of 486.52 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2-morpholin-4-yl-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 66780001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).