N-ethyl-7-[(4-fluorophenoxy)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

C17H16FN3O3S — CID 118017683

IUPACN-ethyl-7-[(4-fluorophenoxy)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCCNC(=O)c1c(C)sc2nc(COc3ccc(F)cc3)cc(=O)n12
InChIInChI=1S/C17H16FN3O3S/c1-3-19-16(23)15-10(2)25-17-20-12(8-14(22)21(15)17)9-24-13-6-4-11(18)5-7-13/h4-8H,3,9H2,1-2H3,(H,19,23)
InChIKeyGSIYTXVGPWMLGW-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.53
Rot. Bonds5

About N-ethyl-7-[(4-fluorophenoxy)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

N-ethyl-7-[(4-fluorophenoxy)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (PubChem CID 118017683) has the molecular formula C17H16FN3O3S and a molecular weight of 361.40 g/mol. Its IUPAC name is N-ethyl-7-[(4-fluorophenoxy)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-7-[(4-fluorophenoxy)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
PubChem CID118017683
Molecular FormulaC17H16FN3O3S
Molecular Weight361.40 g/mol
Exact Mass361.09
IUPAC NameN-ethyl-7-[(4-fluorophenoxy)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCCNC(=O)c1c(C)sc2nc(COc3ccc(F)cc3)cc(=O)n12
InChIInChI=1S/C17H16FN3O3S/c1-3-19-16(23)15-10(2)25-17-20-12(8-14(22)21(15)17)9-24-13-6-4-11(18)5-7-13/h4-8H,3,9H2,1-2H3,(H,19,23)
InChIKeyGSIYTXVGPWMLGW-UHFFFAOYSA-N
XLogP2.53
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-[(4-fluorophenoxy)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-ethyl-7-[(4-fluorophenoxy)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (CID 118017683) is N-ethyl-7-[(4-fluorophenoxy)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-ethyl-7-[(4-fluorophenoxy)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-ethyl-7-[(4-fluorophenoxy)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is CCNC(=O)c1c(C)sc2nc(COc3ccc(F)cc3)cc(=O)n12.
What is the InChIKey of N-ethyl-7-[(4-fluorophenoxy)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The InChIKey is GSIYTXVGPWMLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3S/c1-3-19-16(23)15-10(2)25-17-20-12(8-14(22)21(15)17)9-24-13-6-4-11(18)5-7-13/h4-8H,3,9H2,1-2H3,(H,19,23).
What are the key properties of N-ethyl-7-[(4-fluorophenoxy)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
N-ethyl-7-[(4-fluorophenoxy)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-[(4-fluorophenoxy)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118017683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).