1-(2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid

C14H14FN3O4S — CID 120529494

IUPAC1-(2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
SMILESCc1sc2ncc(C(=O)N3CCC(F)(C(=O)O)C3)c(=O)n2c1C
InChIInChI=1S/C14H14FN3O4S/c1-7-8(2)23-13-16-5-9(11(20)18(7)13)10(19)17-4-3-14(15,6-17)12(21)22/h5H,3-4,6H2,1-2H3,(H,21,22)
InChIKeyZRFHXAWKURTWBM-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.01
Rot. Bonds2

About 1-(2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid

1-(2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid (PubChem CID 120529494) has the molecular formula C14H14FN3O4S and a molecular weight of 339.35 g/mol. Its IUPAC name is 1-(2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
PubChem CID120529494
Molecular FormulaC14H14FN3O4S
Molecular Weight339.35 g/mol
Exact Mass339.07
IUPAC Name1-(2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
SMILESCc1sc2ncc(C(=O)N3CCC(F)(C(=O)O)C3)c(=O)n2c1C
InChIInChI=1S/C14H14FN3O4S/c1-7-8(2)23-13-16-5-9(11(20)18(7)13)10(19)17-4-3-14(15,6-17)12(21)22/h5H,3-4,6H2,1-2H3,(H,21,22)
InChIKeyZRFHXAWKURTWBM-UHFFFAOYSA-N
XLogP1.01
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid (CID 120529494) is 1-(2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid is Cc1sc2ncc(C(=O)N3CCC(F)(C(=O)O)C3)c(=O)n2c1C.
What is the InChIKey of 1-(2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
The InChIKey is ZRFHXAWKURTWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O4S/c1-7-8(2)23-13-16-5-9(11(20)18(7)13)10(19)17-4-3-14(15,6-17)12(21)22/h5H,3-4,6H2,1-2H3,(H,21,22).
What are the key properties of 1-(2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
1-(2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid has a molecular weight of 339.35 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120529494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).