7-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

C16H14FN3O3S — CID 118018063

IUPAC7-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCOc1cccc(Cc2cc(=O)n3c(C(N)=O)c(C)sc3n2)c1F
InChIInChI=1S/C16H14FN3O3S/c1-8-14(15(18)22)20-12(21)7-10(19-16(20)24-8)6-9-4-3-5-11(23-2)13(9)17/h3-5,7H,6H2,1-2H3,(H2,18,22)
InChIKeyFEGJRYVETUWZDC-UHFFFAOYSA-N
MW347.37 g/mol
LogP1.90
Rot. Bonds4

About 7-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

7-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (PubChem CID 118018063) has the molecular formula C16H14FN3O3S and a molecular weight of 347.37 g/mol. Its IUPAC name is 7-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
PubChem CID118018063
Molecular FormulaC16H14FN3O3S
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC Name7-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCOc1cccc(Cc2cc(=O)n3c(C(N)=O)c(C)sc3n2)c1F
InChIInChI=1S/C16H14FN3O3S/c1-8-14(15(18)22)20-12(21)7-10(19-16(20)24-8)6-9-4-3-5-11(23-2)13(9)17/h3-5,7H,6H2,1-2H3,(H2,18,22)
InChIKeyFEGJRYVETUWZDC-UHFFFAOYSA-N
XLogP1.90
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-[(2,3-difluorophenyl)methyl]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 118010654
2-fluoro-3-[(2-methyl-5-oxo-3-pyrimidin-5-yl-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]benzonitrile
CID 118010098
7-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3-(C,N-dimethylcarbonimidoyl)-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 123679517
7-[2-fluoro-3-(trifluoromethyl)phenoxy]-N,2-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 118018054
1-(2,4-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 104793440
1-(1-benzothiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800328
1-(2,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 104793432
4-amino-2-[(2-fluoro-3-methoxyphenyl)methyl]butanoic acid
CID 104795873
2-(2-fluoro-3-methoxyphenyl)-1-(4-methoxyphenyl)ethanone
CID 104793354
5-(aminomethyl)-1-[(2-fluoro-3-methoxyphenyl)methyl]triazole-4-carboxylic acid
CID 103121711
3-amino-4,4,4-trifluoro-1-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-one
CID 116593098
2-(2-fluoro-3-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethanone
CID 113453750

Frequently Asked Questions

What is the IUPAC name of 7-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (CID 118018063) is 7-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is COc1cccc(Cc2cc(=O)n3c(C(N)=O)c(C)sc3n2)c1F.
What is the InChIKey of 7-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The InChIKey is FEGJRYVETUWZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3S/c1-8-14(15(18)22)20-12(21)7-10(19-16(20)24-8)6-9-4-3-5-11(23-2)13(9)17/h3-5,7H,6H2,1-2H3,(H2,18,22).
What are the key properties of 7-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
7-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118018063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).