(2Z)-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

C18H13F3N2O2S — CID 6531469

IUPAC(2Z)-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESO=c1/c(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2n1CCCN=2
InChIInChI=1S/C18H13F3N2O2S/c19-18(20,21)12-4-1-3-11(9-12)14-6-5-13(25-14)10-15-16(24)23-8-2-7-22-17(23)26-15/h1,3-6,9-10H,2,7-8H2/b15-10-
InChIKeyZCXBRNGGQFXUCC-GDNBJRDFSA-N
MW378.38 g/mol
LogP3.04
Rot. Bonds2

About (2Z)-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

(2Z)-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (PubChem CID 6531469) has the molecular formula C18H13F3N2O2S and a molecular weight of 378.38 g/mol. Its IUPAC name is (2Z)-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.

Molecular Properties

Compound Name(2Z)-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
PubChem CID6531469
Molecular FormulaC18H13F3N2O2S
Molecular Weight378.38 g/mol
Exact Mass378.06
IUPAC Name(2Z)-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESO=c1/c(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2n1CCCN=2
InChIInChI=1S/C18H13F3N2O2S/c19-18(20,21)12-4-1-3-11(9-12)14-6-5-13(25-14)10-15-16(24)23-8-2-7-22-17(23)26-15/h1,3-6,9-10H,2,7-8H2/b15-10-
InChIKeyZCXBRNGGQFXUCC-GDNBJRDFSA-N
XLogP3.04
TPSA47.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 4736041
2-(furan-2-ylmethylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 2891446
2-piperidin-1-yl-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazol-4-one
CID 4006570
(4Z)-10-bromo-4-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-5-thia-2,7,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraen-3-one
CID 1285453
(5Z)-2-(3-methyl-1-benzofuran-2-yl)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6124479
(14Z)-11-phenyl-14-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
CID 6514174
(5E)-3-methyl-2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 2177207
2-(4-methylpiperazin-1-yl)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazol-4-one
CID 3750262
(5Z)-3-cyclohexyl-2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 2177040
(5Z)-3-cyclohexyl-1-methyl-2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]imidazolidin-4-one
CID 126083998
11-(4-chlorophenyl)-14-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
CID 3489535
ethyl (2E)-5-(1,3-benzodioxol-5-yl)-7-methyl-3-oxo-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 5343590

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The IUPAC name of (2Z)-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (CID 6531469) is (2Z)-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.
What is the SMILES notation for (2Z)-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The canonical SMILES for (2Z)-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is O=c1/c(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2n1CCCN=2.
What is the InChIKey of (2Z)-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The InChIKey is ZCXBRNGGQFXUCC-GDNBJRDFSA-N. The full InChI is InChI=1S/C18H13F3N2O2S/c19-18(20,21)12-4-1-3-11(9-12)14-6-5-13(25-14)10-15-16(24)23-8-2-7-22-17(23)26-15/h1,3-6,9-10H,2,7-8H2/b15-10-.
What are the key properties of (2Z)-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
(2Z)-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one has a molecular weight of 378.38 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is sourced from PubChem (CID 6531469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).