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

C16H14FN3O3S — CID 118017682

IUPACN-ethyl-7-[(4-fluorophenoxy)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCCNC(=O)c1csc2nc(COc3ccc(F)cc3)cc(=O)n12
InChIInChI=1S/C16H14FN3O3S/c1-2-18-15(22)13-9-24-16-19-11(7-14(21)20(13)16)8-23-12-5-3-10(17)4-6-12/h3-7,9H,2,8H2,1H3,(H,18,22)
InChIKeyPOJSBKDCZHJWQH-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.22
Rot. Bonds5

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

N-ethyl-7-[(4-fluorophenoxy)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (PubChem CID 118017682) has the molecular formula C16H14FN3O3S and a molecular weight of 347.37 g/mol. Its IUPAC name is N-ethyl-7-[(4-fluorophenoxy)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-7-[(4-fluorophenoxy)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
PubChem CID118017682
Molecular FormulaC16H14FN3O3S
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC NameN-ethyl-7-[(4-fluorophenoxy)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCCNC(=O)c1csc2nc(COc3ccc(F)cc3)cc(=O)n12
InChIInChI=1S/C16H14FN3O3S/c1-2-18-15(22)13-9-24-16-19-11(7-14(21)20(13)16)8-23-12-5-3-10(17)4-6-12/h3-7,9H,2,8H2,1H3,(H,18,22)
InChIKeyPOJSBKDCZHJWQH-UHFFFAOYSA-N
XLogP2.22
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.22
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]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-ethyl-7-[(4-fluorophenoxy)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (CID 118017682) is N-ethyl-7-[(4-fluorophenoxy)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-ethyl-7-[(4-fluorophenoxy)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-ethyl-7-[(4-fluorophenoxy)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is CCNC(=O)c1csc2nc(COc3ccc(F)cc3)cc(=O)n12.
What is the InChIKey of N-ethyl-7-[(4-fluorophenoxy)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The InChIKey is POJSBKDCZHJWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3S/c1-2-18-15(22)13-9-24-16-19-11(7-14(21)20(13)16)8-23-12-5-3-10(17)4-6-12/h3-7,9H,2,8H2,1H3,(H,18,22).
What are the key properties of N-ethyl-7-[(4-fluorophenoxy)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
N-ethyl-7-[(4-fluorophenoxy)methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 2.22, 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]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118017682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).