7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C14H9F3N2O2S — CID 66753265

IUPAC7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sccn2c(=O)c1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H9F3N2O2S/c1-8-11(12(20)19-6-7-22-13(19)18-8)9-2-4-10(5-3-9)21-14(15,16)17/h2-7H,1H3
InChIKeyKDOGJUSGFCJVMI-UHFFFAOYSA-N
MW326.30 g/mol
LogP3.63
Rot. Bonds2

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

7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 66753265) has the molecular formula C14H9F3N2O2S and a molecular weight of 326.30 g/mol. Its IUPAC name is 7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID66753265
Molecular FormulaC14H9F3N2O2S
Molecular Weight326.30 g/mol
Exact Mass326.03
IUPAC Name7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nc2sccn2c(=O)c1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H9F3N2O2S/c1-8-11(12(20)19-6-7-22-13(19)18-8)9-2-4-10(5-3-9)21-14(15,16)17/h2-7H,1H3
InChIKeyKDOGJUSGFCJVMI-UHFFFAOYSA-N
XLogP3.63
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-butoxyphenyl)-7-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 91455885
7-[2-[3-methoxy-2-(2-methylpropoxy)phenyl]ethenyl]-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66752771
2,5-dimethyl-6-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 129299580
7-methoxy-6-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 70581292
2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 55611638
ethyl 2-[(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-2-oxoacetate
CID 16933416
3-(4-methoxyphenyl)-N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)propanamide
CID 16933458
2-[4-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]phenyl]-4,5,6-triphenylpyrimidine
CID 155140916
7-[[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 133488827
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
6-methylimidazo[2,1-b][1,3]thiazole-5-thiol
CID 142258463
[6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]urea
CID 149159039

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 66753265) is 7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nc2sccn2c(=O)c1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is KDOGJUSGFCJVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O2S/c1-8-11(12(20)19-6-7-22-13(19)18-8)9-2-4-10(5-3-9)21-14(15,16)17/h2-7H,1H3.
What are the key properties of 7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 326.30 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 66753265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).