7-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

C17H16F3N5O2S — CID 118010338

IUPAC7-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1c(C)sc2nc(Cn3nc(C4CC4)cc3C(F)(F)F)cc(=O)n12
InChIInChI=1S/C17H16F3N5O2S/c1-8-14(15(27)21-2)25-13(26)5-10(22-16(25)28-8)7-24-12(17(18,19)20)6-11(23-24)9-3-4-9/h5-6,9H,3-4,7H2,1-2H3,(H,21,27)
InChIKeyRIKRWRLJRVUIHU-UHFFFAOYSA-N
MW411.41 g/mol
LogP2.57
Rot. Bonds4

About 7-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

7-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (PubChem CID 118010338) has the molecular formula C17H16F3N5O2S and a molecular weight of 411.41 g/mol. Its IUPAC name is 7-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
PubChem CID118010338
Molecular FormulaC17H16F3N5O2S
Molecular Weight411.41 g/mol
Exact Mass411.10
IUPAC Name7-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1c(C)sc2nc(Cn3nc(C4CC4)cc3C(F)(F)F)cc(=O)n12
InChIInChI=1S/C17H16F3N5O2S/c1-8-14(15(27)21-2)25-13(26)5-10(22-16(25)28-8)7-24-12(17(18,19)20)6-11(23-24)9-3-4-9/h5-6,9H,3-4,7H2,1-2H3,(H,21,27)
InChIKeyRIKRWRLJRVUIHU-UHFFFAOYSA-N
XLogP2.57
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (CID 118010338) is 7-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is CNC(=O)c1c(C)sc2nc(Cn3nc(C4CC4)cc3C(F)(F)F)cc(=O)n12.
What is the InChIKey of 7-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The InChIKey is RIKRWRLJRVUIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O2S/c1-8-14(15(27)21-2)25-13(26)5-10(22-16(25)28-8)7-24-12(17(18,19)20)6-11(23-24)9-3-4-9/h5-6,9H,3-4,7H2,1-2H3,(H,21,27).
What are the key properties of 7-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
7-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide has a molecular weight of 411.41 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118010338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).