7-[[4,5-difluoro-2-(1,3-oxazol-2-yl)phenyl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

C19H14F2N4O3S — CID 122438593

IUPAC7-[[4,5-difluoro-2-(1,3-oxazol-2-yl)phenyl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1c(C)sc2nc(Cc3cc(F)c(F)cc3-c3ncco3)cc(=O)n12
InChIInChI=1S/C19H14F2N4O3S/c1-9-16(17(27)22-2)25-15(26)7-11(24-19(25)29-9)5-10-6-13(20)14(21)8-12(10)18-23-3-4-28-18/h3-4,6-8H,5H2,1-2H3,(H,22,27)
InChIKeyBEVRRKVOWZXYIG-UHFFFAOYSA-N
MW416.41 g/mol
LogP2.95
Rot. Bonds4

About 7-[[4,5-difluoro-2-(1,3-oxazol-2-yl)phenyl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

7-[[4,5-difluoro-2-(1,3-oxazol-2-yl)phenyl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (PubChem CID 122438593) has the molecular formula C19H14F2N4O3S and a molecular weight of 416.41 g/mol. Its IUPAC name is 7-[[4,5-difluoro-2-(1,3-oxazol-2-yl)phenyl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-[[4,5-difluoro-2-(1,3-oxazol-2-yl)phenyl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
PubChem CID122438593
Molecular FormulaC19H14F2N4O3S
Molecular Weight416.41 g/mol
Exact Mass416.08
IUPAC Name7-[[4,5-difluoro-2-(1,3-oxazol-2-yl)phenyl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1c(C)sc2nc(Cc3cc(F)c(F)cc3-c3ncco3)cc(=O)n12
InChIInChI=1S/C19H14F2N4O3S/c1-9-16(17(27)22-2)25-15(26)7-11(24-19(25)29-9)5-10-6-13(20)14(21)8-12(10)18-23-3-4-28-18/h3-4,6-8H,5H2,1-2H3,(H,22,27)
InChIKeyBEVRRKVOWZXYIG-UHFFFAOYSA-N
XLogP2.95
TPSA89.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[4,5-difluoro-2-(1,3-oxazol-2-yl)phenyl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-[[4,5-difluoro-2-(1,3-oxazol-2-yl)phenyl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (CID 122438593) is 7-[[4,5-difluoro-2-(1,3-oxazol-2-yl)phenyl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-[[4,5-difluoro-2-(1,3-oxazol-2-yl)phenyl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-[[4,5-difluoro-2-(1,3-oxazol-2-yl)phenyl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is CNC(=O)c1c(C)sc2nc(Cc3cc(F)c(F)cc3-c3ncco3)cc(=O)n12.
What is the InChIKey of 7-[[4,5-difluoro-2-(1,3-oxazol-2-yl)phenyl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The InChIKey is BEVRRKVOWZXYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O3S/c1-9-16(17(27)22-2)25-15(26)7-11(24-19(25)29-9)5-10-6-13(20)14(21)8-12(10)18-23-3-4-28-18/h3-4,6-8H,5H2,1-2H3,(H,22,27).
What are the key properties of 7-[[4,5-difluoro-2-(1,3-oxazol-2-yl)phenyl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
7-[[4,5-difluoro-2-(1,3-oxazol-2-yl)phenyl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide has a molecular weight of 416.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4,5-difluoro-2-(1,3-oxazol-2-yl)phenyl]methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122438593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).