6-[(4-fluorophenyl)methyl]-3-methyl-2-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one

C18H17FN4O3S — CID 141443713

IUPAC6-[(4-fluorophenyl)methyl]-3-methyl-2-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
SMILESCc1c(C(=O)N2CCOCC2)sc2nc(=O)c(Cc3ccc(F)cc3)nn12
InChIInChI=1S/C18H17FN4O3S/c1-11-15(17(25)22-6-8-26-9-7-22)27-18-20-16(24)14(21-23(11)18)10-12-2-4-13(19)5-3-12/h2-5H,6-10H2,1H3
InChIKeyHEMNKRICADNOKV-UHFFFAOYSA-N
MW388.42 g/mol
LogP1.66
Rot. Bonds3

About 6-[(4-fluorophenyl)methyl]-3-methyl-2-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one

6-[(4-fluorophenyl)methyl]-3-methyl-2-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one (PubChem CID 141443713) has the molecular formula C18H17FN4O3S and a molecular weight of 388.42 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-3-methyl-2-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-3-methyl-2-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
PubChem CID141443713
Molecular FormulaC18H17FN4O3S
Molecular Weight388.42 g/mol
Exact Mass388.10
IUPAC Name6-[(4-fluorophenyl)methyl]-3-methyl-2-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
SMILESCc1c(C(=O)N2CCOCC2)sc2nc(=O)c(Cc3ccc(F)cc3)nn12
InChIInChI=1S/C18H17FN4O3S/c1-11-15(17(25)22-6-8-26-9-7-22)27-18-20-16(24)14(21-23(11)18)10-12-2-4-13(19)5-3-12/h2-5H,6-10H2,1H3
InChIKeyHEMNKRICADNOKV-UHFFFAOYSA-N
XLogP1.66
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-3-methyl-2-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-3-methyl-2-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one (CID 141443713) is 6-[(4-fluorophenyl)methyl]-3-methyl-2-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-3-methyl-2-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-3-methyl-2-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one is Cc1c(C(=O)N2CCOCC2)sc2nc(=O)c(Cc3ccc(F)cc3)nn12.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-3-methyl-2-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The InChIKey is HEMNKRICADNOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3S/c1-11-15(17(25)22-6-8-26-9-7-22)27-18-20-16(24)14(21-23(11)18)10-12-2-4-13(19)5-3-12/h2-5H,6-10H2,1H3.
What are the key properties of 6-[(4-fluorophenyl)methyl]-3-methyl-2-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
6-[(4-fluorophenyl)methyl]-3-methyl-2-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one has a molecular weight of 388.42 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-3-methyl-2-(morpholine-4-carbonyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one is sourced from PubChem (CID 141443713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).