5-[[butyl(methyl)amino]-(5-methylfuran-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C15H20N4O2S — CID 110382569

IUPAC5-[[butyl(methyl)amino]-(5-methylfuran-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCCCCN(C)C(c1ccc(C)o1)c1sc2ncnn2c1O
InChIInChI=1S/C15H20N4O2S/c1-4-5-8-18(3)12(11-7-6-10(2)21-11)13-14(20)19-15(22-13)16-9-17-19/h6-7,9,12,20H,4-5,8H2,1-3H3
InChIKeyUYYAGIRELRHVRP-UHFFFAOYSA-N
MW320.42 g/mol
LogP3.22
Rot. Bonds6

About 5-[[butyl(methyl)amino]-(5-methylfuran-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

5-[[butyl(methyl)amino]-(5-methylfuran-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 110382569) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 5-[[butyl(methyl)amino]-(5-methylfuran-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name5-[[butyl(methyl)amino]-(5-methylfuran-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID110382569
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name5-[[butyl(methyl)amino]-(5-methylfuran-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCCCCN(C)C(c1ccc(C)o1)c1sc2ncnn2c1O
InChIInChI=1S/C15H20N4O2S/c1-4-5-8-18(3)12(11-7-6-10(2)21-11)13-14(20)19-15(22-13)16-9-17-19/h6-7,9,12,20H,4-5,8H2,1-3H3
InChIKeyUYYAGIRELRHVRP-UHFFFAOYSA-N
XLogP3.22
TPSA66.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[butyl(methyl)amino]-(5-methylfuran-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 5-[[butyl(methyl)amino]-(5-methylfuran-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 110382569) is 5-[[butyl(methyl)amino]-(5-methylfuran-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 5-[[butyl(methyl)amino]-(5-methylfuran-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 5-[[butyl(methyl)amino]-(5-methylfuran-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is CCCCN(C)C(c1ccc(C)o1)c1sc2ncnn2c1O.
What is the InChIKey of 5-[[butyl(methyl)amino]-(5-methylfuran-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is UYYAGIRELRHVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-4-5-8-18(3)12(11-7-6-10(2)21-11)13-14(20)19-15(22-13)16-9-17-19/h6-7,9,12,20H,4-5,8H2,1-3H3.
What are the key properties of 5-[[butyl(methyl)amino]-(5-methylfuran-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
5-[[butyl(methyl)amino]-(5-methylfuran-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 320.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[butyl(methyl)amino]-(5-methylfuran-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 110382569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).