7-[[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C19H17F3N4O2S — CID 42893110

IUPAC7-[[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C19H17F3N4O2S/c20-19(21,22)14-3-1-13(2-4-14)17(28)25-7-5-24(6-8-25)12-15-11-16(27)26-9-10-29-18(26)23-15/h1-4,9-11H,5-8,12H2
InChIKeyFZXJFSDOVKJTDI-UHFFFAOYSA-N
MW422.43 g/mol
LogP2.73
Rot. Bonds3

About 7-[[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 42893110) has the molecular formula C19H17F3N4O2S and a molecular weight of 422.43 g/mol. Its IUPAC name is 7-[[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID42893110
Molecular FormulaC19H17F3N4O2S
Molecular Weight422.43 g/mol
Exact Mass422.10
IUPAC Name7-[[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C19H17F3N4O2S/c20-19(21,22)14-3-1-13(2-4-14)17(28)25-7-5-24(6-8-25)12-15-11-16(27)26-9-10-29-18(26)23-15/h1-4,9-11H,5-8,12H2
InChIKeyFZXJFSDOVKJTDI-UHFFFAOYSA-N
XLogP2.73
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

N-(4-amino-6-oxo-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-1,6-dihydropyrimidin-5-yl)-2-fluorobenzamide
CID 135700670
2-fluoro-N-[3-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
CID 45976581
N-[6-amino-2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]benzamide
CID 135831373
4-fluoro-N-(5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 801344
(2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(4-(trifluoromethyl)phenyl)methanone
CID 4114095
(2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)(4-(t
CID 4120746
(2-(ethylthio)-4,5-dihydro-1H-imidazol-1-yl)(4-(trifluoromethyl)phenyl)methanone
CID 4182399
4-fluoro-N-[3-(4-fluorobenzoyl)-1,3-thiazinan-2-ylidene]benzamide
CID 12440402
2-fluoro-N-{7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl}benzamide
CID 16933429
4-fluoro-N-{7-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-yl}benzamide
CID 16933431
2,6-difluoro-N-(7-methyl-5-oxo-5H-thiazolo[3,2-a]pyrimidin-6-yl)benzamide
CID 16933432
N-{7-Methyl-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidin-6-YL}-2-(trifluoromethyl)benzamide
CID 16933460

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 42893110) is 7-[[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1.
What is the InChIKey of 7-[[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is FZXJFSDOVKJTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O2S/c20-19(21,22)14-3-1-13(2-4-14)17(28)25-7-5-24(6-8-25)12-15-11-16(27)26-9-10-29-18(26)23-15/h1-4,9-11H,5-8,12H2.
What are the key properties of 7-[[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 422.43 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 42893110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).