7-[(2,3-difluorophenyl)methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

C16H13F2N3O2S — CID 118010654

IUPAC7-[(2,3-difluorophenyl)methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1c(C)sc2nc(Cc3cccc(F)c3F)cc(=O)n12
InChIInChI=1S/C16H13F2N3O2S/c1-8-14(15(23)19-2)21-12(22)7-10(20-16(21)24-8)6-9-4-3-5-11(17)13(9)18/h3-5,7H,6H2,1-2H3,(H,19,23)
InChIKeyOWRHWUDNRYPVBK-UHFFFAOYSA-N
MW349.36 g/mol
LogP2.29
Rot. Bonds3

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

7-[(2,3-difluorophenyl)methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (PubChem CID 118010654) has the molecular formula C16H13F2N3O2S and a molecular weight of 349.36 g/mol. Its IUPAC name is 7-[(2,3-difluorophenyl)methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-[(2,3-difluorophenyl)methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
PubChem CID118010654
Molecular FormulaC16H13F2N3O2S
Molecular Weight349.36 g/mol
Exact Mass349.07
IUPAC Name7-[(2,3-difluorophenyl)methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1c(C)sc2nc(Cc3cccc(F)c3F)cc(=O)n12
InChIInChI=1S/C16H13F2N3O2S/c1-8-14(15(23)19-2)21-12(22)7-10(20-16(21)24-8)6-9-4-3-5-11(17)13(9)18/h3-5,7H,6H2,1-2H3,(H,19,23)
InChIKeyOWRHWUDNRYPVBK-UHFFFAOYSA-N
XLogP2.29
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(2,3-difluorophenyl)methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-[(2,3-difluorophenyl)methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (CID 118010654) is 7-[(2,3-difluorophenyl)methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-[(2,3-difluorophenyl)methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-[(2,3-difluorophenyl)methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is CNC(=O)c1c(C)sc2nc(Cc3cccc(F)c3F)cc(=O)n12.
What is the InChIKey of 7-[(2,3-difluorophenyl)methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The InChIKey is OWRHWUDNRYPVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2S/c1-8-14(15(23)19-2)21-12(22)7-10(20-16(21)24-8)6-9-4-3-5-11(17)13(9)18/h3-5,7H,6H2,1-2H3,(H,19,23).
What are the key properties of 7-[(2,3-difluorophenyl)methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
7-[(2,3-difluorophenyl)methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide has a molecular weight of 349.36 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,3-difluorophenyl)methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118010654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).