5-[furan-2-yl(morpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C14H16N4O3S — CID 3236960

IUPAC5-[furan-2-yl(morpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1nc2sc(C(c3ccco3)N3CCOCC3)c(O)n2n1
InChIInChI=1S/C14H16N4O3S/c1-9-15-14-18(16-9)13(19)12(22-14)11(10-3-2-6-21-10)17-4-7-20-8-5-17/h2-3,6,11,19H,4-5,7-8H2,1H3
InChIKeyAVSQPCDYTBQJQM-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.82
Rot. Bonds3

About 5-[furan-2-yl(morpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

5-[furan-2-yl(morpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 3236960) has the molecular formula C14H16N4O3S and a molecular weight of 320.37 g/mol. Its IUPAC name is 5-[furan-2-yl(morpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name5-[furan-2-yl(morpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID3236960
Molecular FormulaC14H16N4O3S
Molecular Weight320.37 g/mol
Exact Mass320.09
IUPAC Name5-[furan-2-yl(morpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1nc2sc(C(c3ccco3)N3CCOCC3)c(O)n2n1
InChIInChI=1S/C14H16N4O3S/c1-9-15-14-18(16-9)13(19)12(22-14)11(10-3-2-6-21-10)17-4-7-20-8-5-17/h2-3,6,11,19H,4-5,7-8H2,1H3
InChIKeyAVSQPCDYTBQJQM-UHFFFAOYSA-N
XLogP1.82
TPSA76.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[furan-2-yl(morpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 5-[furan-2-yl(morpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 3236960) is 5-[furan-2-yl(morpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 5-[furan-2-yl(morpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 5-[furan-2-yl(morpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is Cc1nc2sc(C(c3ccco3)N3CCOCC3)c(O)n2n1.
What is the InChIKey of 5-[furan-2-yl(morpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is AVSQPCDYTBQJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S/c1-9-15-14-18(16-9)13(19)12(22-14)11(10-3-2-6-21-10)17-4-7-20-8-5-17/h2-3,6,11,19H,4-5,7-8H2,1H3.
What are the key properties of 5-[furan-2-yl(morpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
5-[furan-2-yl(morpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 320.37 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[furan-2-yl(morpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 3236960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).