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

C18H18FN3O2S — CID 118009235

IUPACN-ethyl-7-[(2-fluoro-3-methylphenyl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCCNC(=O)c1c(C)sc2nc(Cc3cccc(C)c3F)cc(=O)n12
InChIInChI=1S/C18H18FN3O2S/c1-4-20-17(24)16-11(3)25-18-21-13(9-14(23)22(16)18)8-12-7-5-6-10(2)15(12)19/h5-7,9H,4,8H2,1-3H3,(H,20,24)
InChIKeyRKSSVICZZYPEFM-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.85
Rot. Bonds4

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

N-ethyl-7-[(2-fluoro-3-methylphenyl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (PubChem CID 118009235) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is N-ethyl-7-[(2-fluoro-3-methylphenyl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-7-[(2-fluoro-3-methylphenyl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
PubChem CID118009235
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC NameN-ethyl-7-[(2-fluoro-3-methylphenyl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCCNC(=O)c1c(C)sc2nc(Cc3cccc(C)c3F)cc(=O)n12
InChIInChI=1S/C18H18FN3O2S/c1-4-20-17(24)16-11(3)25-18-21-13(9-14(23)22(16)18)8-12-7-5-6-10(2)15(12)19/h5-7,9H,4,8H2,1-3H3,(H,20,24)
InChIKeyRKSSVICZZYPEFM-UHFFFAOYSA-N
XLogP2.85
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-[(2-fluoro-3-methylphenyl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-ethyl-7-[(2-fluoro-3-methylphenyl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (CID 118009235) is N-ethyl-7-[(2-fluoro-3-methylphenyl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-ethyl-7-[(2-fluoro-3-methylphenyl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-ethyl-7-[(2-fluoro-3-methylphenyl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is CCNC(=O)c1c(C)sc2nc(Cc3cccc(C)c3F)cc(=O)n12.
What is the InChIKey of N-ethyl-7-[(2-fluoro-3-methylphenyl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The InChIKey is RKSSVICZZYPEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c1-4-20-17(24)16-11(3)25-18-21-13(9-14(23)22(16)18)8-12-7-5-6-10(2)15(12)19/h5-7,9H,4,8H2,1-3H3,(H,20,24).
What are the key properties of N-ethyl-7-[(2-fluoro-3-methylphenyl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
N-ethyl-7-[(2-fluoro-3-methylphenyl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-[(2-fluoro-3-methylphenyl)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118009235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).