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

C15H20N4O2S — CID 110382510

IUPAC5-[diethylamino(furan-2-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCCc1nc2sc(C(c3ccco3)N(CC)CC)c(O)n2n1
InChIInChI=1S/C15H20N4O2S/c1-4-11-16-15-19(17-11)14(20)13(22-15)12(18(5-2)6-3)10-8-7-9-21-10/h7-9,12,20H,4-6H2,1-3H3
InChIKeyZTQLZEQCQXKVEO-UHFFFAOYSA-N
MW320.42 g/mol
LogP3.08
Rot. Bonds6

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

5-[diethylamino(furan-2-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 110382510) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 5-[diethylamino(furan-2-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name5-[diethylamino(furan-2-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID110382510
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name5-[diethylamino(furan-2-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCCc1nc2sc(C(c3ccco3)N(CC)CC)c(O)n2n1
InChIInChI=1S/C15H20N4O2S/c1-4-11-16-15-19(17-11)14(20)13(22-15)12(18(5-2)6-3)10-8-7-9-21-10/h7-9,12,20H,4-6H2,1-3H3
InChIKeyZTQLZEQCQXKVEO-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[bis(prop-2-enyl)amino]-(furan-2-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382511
5-[(dipropylamino)-(furan-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382475
2-ethyl-5-[(S)-furan-2-yl(piperidin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7293644
2-ethyl-5-[(R)-furan-2-yl(morpholin-4-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7294130
2-ethyl-5-[furan-2-yl(morpholin-4-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 18576149
2-ethyl-5-[(R)-furan-2-yl-(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7294256
1-[(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(furan-2-yl)methyl]piperidine-4-carboxamide
CID 18576093
[4-[(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(furan-2-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 18576323
2-ethyl-5-[(R)-furan-2-yl(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7294443
2-ethyl-5-[(S)-furan-2-yl-[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7293715
2-ethyl-5-[(R)-phenyl(pyrrolidin-1-ium-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7293457
5-[[ethyl(2-hydroxyethyl)amino]-thiophen-2-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382132

Frequently Asked Questions

What is the IUPAC name of 5-[diethylamino(furan-2-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 5-[diethylamino(furan-2-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 110382510) is 5-[diethylamino(furan-2-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 5-[diethylamino(furan-2-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 5-[diethylamino(furan-2-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is CCc1nc2sc(C(c3ccco3)N(CC)CC)c(O)n2n1.
What is the InChIKey of 5-[diethylamino(furan-2-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is ZTQLZEQCQXKVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-4-11-16-15-19(17-11)14(20)13(22-15)12(18(5-2)6-3)10-8-7-9-21-10/h7-9,12,20H,4-6H2,1-3H3.
What are the key properties of 5-[diethylamino(furan-2-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
5-[diethylamino(furan-2-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 320.42 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[diethylamino(furan-2-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 110382510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).