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

C18H17FN4O2S — CID 141443712

IUPAC6-[(4-fluorophenyl)methyl]-3-methyl-2-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
SMILESCc1c(C(=O)N2CCCC2)sc2nc(=O)c(Cc3ccc(F)cc3)nn12
InChIInChI=1S/C18H17FN4O2S/c1-11-15(17(25)22-8-2-3-9-22)26-18-20-16(24)14(21-23(11)18)10-12-4-6-13(19)7-5-12/h4-7H,2-3,8-10H2,1H3
InChIKeyPFEJBMLZVDWTKA-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.43
Rot. Bonds3

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

6-[(4-fluorophenyl)methyl]-3-methyl-2-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one (PubChem CID 141443712) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-3-methyl-2-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-3-methyl-2-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
PubChem CID141443712
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC Name6-[(4-fluorophenyl)methyl]-3-methyl-2-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
SMILESCc1c(C(=O)N2CCCC2)sc2nc(=O)c(Cc3ccc(F)cc3)nn12
InChIInChI=1S/C18H17FN4O2S/c1-11-15(17(25)22-8-2-3-9-22)26-18-20-16(24)14(21-23(11)18)10-12-4-6-13(19)7-5-12/h4-7H,2-3,8-10H2,1H3
InChIKeyPFEJBMLZVDWTKA-UHFFFAOYSA-N
XLogP2.43
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[(4-fluorophenyl)methyl]-3-methyl-2-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 124153479
CID 124153479
CID 124153488
CID 124153488
CID 50803202
CID 50803202
CID 15586429
CID 15586429
CID 70473030
CID 70473030
CID 124153482
CID 124153482
CID 141443702
CID 141443702
CID 141443713
CID 141443713
CID 141443723
CID 141443723
CID 141534028
CID 141534028
CID 141534032
CID 141534032
CID 148923842
CID 148923842

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-3-methyl-2-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-3-methyl-2-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one (CID 141443712) is 6-[(4-fluorophenyl)methyl]-3-methyl-2-(pyrrolidine-1-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-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-3-methyl-2-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one is Cc1c(C(=O)N2CCCC2)sc2nc(=O)c(Cc3ccc(F)cc3)nn12.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-3-methyl-2-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
The InChIKey is PFEJBMLZVDWTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c1-11-15(17(25)22-8-2-3-9-22)26-18-20-16(24)14(21-23(11)18)10-12-4-6-13(19)7-5-12/h4-7H,2-3,8-10H2,1H3.
What are the key properties of 6-[(4-fluorophenyl)methyl]-3-methyl-2-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one?
6-[(4-fluorophenyl)methyl]-3-methyl-2-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one has a molecular weight of 372.43 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-3-methyl-2-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one is sourced from PubChem (CID 141443712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).