3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one

C19H15F3N2OS2 — CID 3670093

IUPAC3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
SMILESO=c1c2ccccc2nc2n1C(CSCc1cccc(C(F)(F)F)c1)CS2
InChIInChI=1S/C19H15F3N2OS2/c20-19(21,22)13-5-3-4-12(8-13)9-26-10-14-11-27-18-23-16-7-2-1-6-15(16)17(25)24(14)18/h1-8,14H,9-11H2
InChIKeyRWPBRNPGEQOCMJ-UHFFFAOYSA-N
MW408.47 g/mol
LogP5.00
Rot. Bonds4

About 3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one

3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one (PubChem CID 3670093) has the molecular formula C19H15F3N2OS2 and a molecular weight of 408.47 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
PubChem CID3670093
Molecular FormulaC19H15F3N2OS2
Molecular Weight408.47 g/mol
Exact Mass408.06
IUPAC Name3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
SMILESO=c1c2ccccc2nc2n1C(CSCc1cccc(C(F)(F)F)c1)CS2
InChIInChI=1S/C19H15F3N2OS2/c20-19(21,22)13-5-3-4-12(8-13)9-26-10-14-11-27-18-23-16-7-2-1-6-15(16)17(25)24(14)18/h1-8,14H,9-11H2
InChIKeyRWPBRNPGEQOCMJ-UHFFFAOYSA-N
XLogP5.00
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one with MolForge

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Related Compounds

(3R)-3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 1490374
(3R)-3-[(4-fluorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 1474960
(3R)-3-[(2,5-dichlorophenyl)sulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 1490360
3-[(4-fluorophenyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one
CID 3609799
3-(2-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one
CID 2392049
3-(2-methoxyethyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one
CID 2610767
3-amino-7-fluoro-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one
CID 53366632
3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-one
CID 4809358
3-cyclopropyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one
CID 9381572
3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]azetidine
CID 66289904
3-amino-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 176686122
2-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-[1,2,4]triazolo[1,5-c]quinazoline
CID 6624310

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one?
The IUPAC name of 3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one (CID 3670093) is 3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one.
What is the SMILES notation for 3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one?
The canonical SMILES for 3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one is O=c1c2ccccc2nc2n1C(CSCc1cccc(C(F)(F)F)c1)CS2.
What is the InChIKey of 3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one?
The InChIKey is RWPBRNPGEQOCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2OS2/c20-19(21,22)13-5-3-4-12(8-13)9-26-10-14-11-27-18-23-16-7-2-1-6-15(16)17(25)24(14)18/h1-8,14H,9-11H2.
What are the key properties of 3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one?
3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one has a molecular weight of 408.47 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)phenyl]methylsulfanylmethyl]-2,3-dihydro-[1,3]thiazolo[2,3-b]quinazolin-5-one is sourced from PubChem (CID 3670093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).