2-benzyl-5-oxo-N-[3-(trifluoromethyl)cyclohexyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C21H20F3N3O2S — CID 86891436

IUPAC2-benzyl-5-oxo-N-[3-(trifluoromethyl)cyclohexyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)c1cnc2sc(Cc3ccccc3)cn2c1=O
InChIInChI=1S/C21H20F3N3O2S/c22-21(23,24)14-7-4-8-15(10-14)26-18(28)17-11-25-20-27(19(17)29)12-16(30-20)9-13-5-2-1-3-6-13/h1-3,5-6,11-12,14-15H,4,7-10H2,(H,26,28)
InChIKeyFOOSZCIIVBQFOR-UHFFFAOYSA-N
MW435.47 g/mol
LogP4.20
Rot. Bonds4

About 2-benzyl-5-oxo-N-[3-(trifluoromethyl)cyclohexyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

2-benzyl-5-oxo-N-[3-(trifluoromethyl)cyclohexyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 86891436) has the molecular formula C21H20F3N3O2S and a molecular weight of 435.47 g/mol. Its IUPAC name is 2-benzyl-5-oxo-N-[3-(trifluoromethyl)cyclohexyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-benzyl-5-oxo-N-[3-(trifluoromethyl)cyclohexyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID86891436
Molecular FormulaC21H20F3N3O2S
Molecular Weight435.47 g/mol
Exact Mass435.12
IUPAC Name2-benzyl-5-oxo-N-[3-(trifluoromethyl)cyclohexyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)c1cnc2sc(Cc3ccccc3)cn2c1=O
InChIInChI=1S/C21H20F3N3O2S/c22-21(23,24)14-7-4-8-15(10-14)26-18(28)17-11-25-20-27(19(17)29)12-16(30-20)9-13-5-2-1-3-6-13/h1-3,5-6,11-12,14-15H,4,7-10H2,(H,26,28)
InChIKeyFOOSZCIIVBQFOR-UHFFFAOYSA-N
XLogP4.20
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-N-[(2-tert-butyloxan-3-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 86971611
2-benzyl-N-[(2,2-dimethylpyrrolidin-3-yl)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;2,2,2-trifluoroacetic acid
CID 166286640
2-benzyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 86890397
N-(3-anilino-3-oxopropyl)-2-benzyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 86946499
2-benzyl-6-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 86891970
2-benzyl-N-[1-(furan-2-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 86890165
1-benzyl-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 32534298
2-benzyl-N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 146153070
2-benzyl-N-[1-(4-fluorophenoxy)propan-2-yl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 86890376
2-benzyl-6-(3-pyrazol-1-ylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 86891881
1-phenylmethoxy-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 36969496
2-benzyl-6-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 86895841

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-oxo-N-[3-(trifluoromethyl)cyclohexyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-benzyl-5-oxo-N-[3-(trifluoromethyl)cyclohexyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 86891436) is 2-benzyl-5-oxo-N-[3-(trifluoromethyl)cyclohexyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-benzyl-5-oxo-N-[3-(trifluoromethyl)cyclohexyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-benzyl-5-oxo-N-[3-(trifluoromethyl)cyclohexyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(NC1CCCC(C(F)(F)F)C1)c1cnc2sc(Cc3ccccc3)cn2c1=O.
What is the InChIKey of 2-benzyl-5-oxo-N-[3-(trifluoromethyl)cyclohexyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is FOOSZCIIVBQFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O2S/c22-21(23,24)14-7-4-8-15(10-14)26-18(28)17-11-25-20-27(19(17)29)12-16(30-20)9-13-5-2-1-3-6-13/h1-3,5-6,11-12,14-15H,4,7-10H2,(H,26,28).
What are the key properties of 2-benzyl-5-oxo-N-[3-(trifluoromethyl)cyclohexyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
2-benzyl-5-oxo-N-[3-(trifluoromethyl)cyclohexyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 435.47 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-oxo-N-[3-(trifluoromethyl)cyclohexyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 86891436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).