7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-cyclopropyl-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C15H12ClF3N4OS — CID 118017803

IUPAC7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-cyclopropyl-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1sc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n2c1C1CC1
InChIInChI=1S/C15H12ClF3N4OS/c1-7-13(8-2-3-8)23-12(24)4-9(20-14(23)25-7)6-22-11(16)5-10(21-22)15(17,18)19/h4-5,8H,2-3,6H2,1H3
InChIKeyXACULFLTNACYQS-UHFFFAOYSA-N
MW388.80 g/mol
LogP3.86
Rot. Bonds3

About 7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-cyclopropyl-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-cyclopropyl-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 118017803) has the molecular formula C15H12ClF3N4OS and a molecular weight of 388.80 g/mol. Its IUPAC name is 7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-cyclopropyl-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-cyclopropyl-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID118017803
Molecular FormulaC15H12ClF3N4OS
Molecular Weight388.80 g/mol
Exact Mass388.04
IUPAC Name7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-cyclopropyl-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1sc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n2c1C1CC1
InChIInChI=1S/C15H12ClF3N4OS/c1-7-13(8-2-3-8)23-12(24)4-9(20-14(23)25-7)6-22-11(16)5-10(21-22)15(17,18)19/h4-5,8H,2-3,6H2,1H3
InChIKeyXACULFLTNACYQS-UHFFFAOYSA-N
XLogP3.86
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.80
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl]-N-ethyl-2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 118017739
cis-(1R,2R)-2-[7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile
CID 127046129
(1S,2R)-2-[7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile
CID 91669250
7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 127045913
7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 127045914
cis-(1R,2R)-2-[7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile
CID 127045915
2-[[5-Chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-6-cyclopropyl-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 134153491
cis-(1R,2R)-2-[7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-2-(trifluoromethyl)-2H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-3-yl]cyclopropane-1-carbonitrile
CID 121232434
7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-N-ethyl-2-methyl-5-oxo-2H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-3-carboxamide
CID 122391210
cis-(1S,2S)-2-[7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]cyclopropane-1-carbonitrile
CID 146167177
3-bromo-7-[[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl]-2-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 118009247
7-[[3-chloro-5-(trifluoromethyl)pyrazol-1-yl]methyl]-N-methyl-5-oxo-2-(trifluoromethyl)-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 118009415

Frequently Asked Questions

What is the IUPAC name of 7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-cyclopropyl-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-cyclopropyl-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 118017803) is 7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-cyclopropyl-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-cyclopropyl-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-cyclopropyl-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1sc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n2c1C1CC1.
What is the InChIKey of 7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-cyclopropyl-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is XACULFLTNACYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N4OS/c1-7-13(8-2-3-8)23-12(24)4-9(20-14(23)25-7)6-22-11(16)5-10(21-22)15(17,18)19/h4-5,8H,2-3,6H2,1H3.
What are the key properties of 7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-cyclopropyl-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-cyclopropyl-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 388.80 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-chloro-3-(trifluoromethyl)pyrazol-1-yl]methyl]-3-cyclopropyl-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 118017803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).