6-(6-fluoro-5-methoxypyrazin-2-yl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one

C18H11F4N5O2S2 — CID 178171345

IUPAC6-(6-fluoro-5-methoxypyrazin-2-yl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESCOc1ncc(-n2c(SCc3ccc(C(F)(F)F)cc3)nc3ncsc3c2=O)nc1F
InChIInChI=1S/C18H11F4N5O2S2/c1-29-15-13(19)25-11(6-23-15)27-16(28)12-14(24-8-31-12)26-17(27)30-7-9-2-4-10(5-3-9)18(20,21)22/h2-6,8H,7H2,1H3
InChIKeyWOBUMWYPCIKOBE-UHFFFAOYSA-N
MW469.45 g/mol
LogP4.09
Rot. Bonds5

About 6-(6-fluoro-5-methoxypyrazin-2-yl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one

6-(6-fluoro-5-methoxypyrazin-2-yl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one (PubChem CID 178171345) has the molecular formula C18H11F4N5O2S2 and a molecular weight of 469.45 g/mol. Its IUPAC name is 6-(6-fluoro-5-methoxypyrazin-2-yl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(6-fluoro-5-methoxypyrazin-2-yl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one
PubChem CID178171345
Molecular FormulaC18H11F4N5O2S2
Molecular Weight469.45 g/mol
Exact Mass469.03
IUPAC Name6-(6-fluoro-5-methoxypyrazin-2-yl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESCOc1ncc(-n2c(SCc3ccc(C(F)(F)F)cc3)nc3ncsc3c2=O)nc1F
InChIInChI=1S/C18H11F4N5O2S2/c1-29-15-13(19)25-11(6-23-15)27-16(28)12-14(24-8-31-12)26-17(27)30-7-9-2-4-10(5-3-9)18(20,21)22/h2-6,8H,7H2,1H3
InChIKeyWOBUMWYPCIKOBE-UHFFFAOYSA-N
XLogP4.09
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.45
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-(6-fluoro-5-methoxypyrazin-2-yl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-3-pyrazin-2-yl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrazolo[5,1-f][1,2,4]triazin-4-one
CID 178171189
6-(4-chlorophenyl)-5-[2-(4-chlorophenyl)ethylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 69441706
2-[(4-fluorophenyl)methylsulfanyl]-3-(6-oxo-1H-pyrazin-3-yl)thieno[3,2-d]pyrimidin-4-one
CID 178171340
3-(4-fluorophenyl)-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 2155409
1-methyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazole
CID 47124411
4-[4-(4-methoxyphenyl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
CID 24521386
2-[(4-chlorophenyl)methylsulfanyl]-5-methoxy-4-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 1476297
4-propan-2-yl-3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
CID 47124470
8-[(2-methoxyphenyl)methyl]-12-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-7-one
CID 50770693
5,6-dimethyl-3-phenyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
CID 2295464
3-[4-(trifluoromethoxy)phenyl]-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one
CID 43936341
3-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-5H-pyrimido[5,4-b]indol-4-one
CID 4580540

Frequently Asked Questions

What is the IUPAC name of 6-(6-fluoro-5-methoxypyrazin-2-yl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 6-(6-fluoro-5-methoxypyrazin-2-yl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CID 178171345) is 6-(6-fluoro-5-methoxypyrazin-2-yl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 6-(6-fluoro-5-methoxypyrazin-2-yl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 6-(6-fluoro-5-methoxypyrazin-2-yl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one is COc1ncc(-n2c(SCc3ccc(C(F)(F)F)cc3)nc3ncsc3c2=O)nc1F.
What is the InChIKey of 6-(6-fluoro-5-methoxypyrazin-2-yl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The InChIKey is WOBUMWYPCIKOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4N5O2S2/c1-29-15-13(19)25-11(6-23-15)27-16(28)12-14(24-8-31-12)26-17(27)30-7-9-2-4-10(5-3-9)18(20,21)22/h2-6,8H,7H2,1H3.
What are the key properties of 6-(6-fluoro-5-methoxypyrazin-2-yl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
6-(6-fluoro-5-methoxypyrazin-2-yl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one has a molecular weight of 469.45 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoro-5-methoxypyrazin-2-yl)-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 178171345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).