3,4-diethoxy-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide

C24H25FN4O3S — CID 18575063

IUPAC3,4-diethoxy-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCc2sc3nc(-c4ccc(F)cc4)nn3c2C)cc1OCC
InChIInChI=1S/C24H25FN4O3S/c1-4-31-19-11-8-17(14-20(19)32-5-2)23(30)26-13-12-21-15(3)29-24(33-21)27-22(28-29)16-6-9-18(25)10-7-16/h6-11,14H,4-5,12-13H2,1-3H3,(H,26,30)
InChIKeyDVTCZNAERUHXMF-UHFFFAOYSA-N
MW468.55 g/mol
LogP4.68
Rot. Bonds9

About 3,4-diethoxy-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide

3,4-diethoxy-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide (PubChem CID 18575063) has the molecular formula C24H25FN4O3S and a molecular weight of 468.55 g/mol. Its IUPAC name is 3,4-diethoxy-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide
PubChem CID18575063
Molecular FormulaC24H25FN4O3S
Molecular Weight468.55 g/mol
Exact Mass468.16
IUPAC Name3,4-diethoxy-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCc2sc3nc(-c4ccc(F)cc4)nn3c2C)cc1OCC
InChIInChI=1S/C24H25FN4O3S/c1-4-31-19-11-8-17(14-20(19)32-5-2)23(30)26-13-12-21-15(3)29-24(33-21)27-22(28-29)16-6-9-18(25)10-7-16/h6-11,14H,4-5,12-13H2,1-3H3,(H,26,30)
InChIKeyDVTCZNAERUHXMF-UHFFFAOYSA-N
XLogP4.68
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide (CID 18575063) is 3,4-diethoxy-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide is CCOc1ccc(C(=O)NCCc2sc3nc(-c4ccc(F)cc4)nn3c2C)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide?
The InChIKey is DVTCZNAERUHXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3S/c1-4-31-19-11-8-17(14-20(19)32-5-2)23(30)26-13-12-21-15(3)29-24(33-21)27-22(28-29)16-6-9-18(25)10-7-16/h6-11,14H,4-5,12-13H2,1-3H3,(H,26,30).
What are the key properties of 3,4-diethoxy-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide?
3,4-diethoxy-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide has a molecular weight of 468.55 g/mol, XLogP of 4.68, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 18575063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).