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

C15H20N4O4S — CID 110381689

IUPAC5-[[bis(2-hydroxyethyl)amino]-(5-methylfuran-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1nc2sc(C(c3ccc(C)o3)N(CCO)CCO)c(O)n2n1
InChIInChI=1S/C15H20N4O4S/c1-9-3-4-11(23-9)12(18(5-7-20)6-8-21)13-14(22)19-15(24-13)16-10(2)17-19/h3-4,12,20-22H,5-8H2,1-2H3
InChIKeyVCIQCGPZFDYNOF-UHFFFAOYSA-N
MW352.42 g/mol
LogP1.08
Rot. Bonds7

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

5-[[bis(2-hydroxyethyl)amino]-(5-methylfuran-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 110381689) has the molecular formula C15H20N4O4S and a molecular weight of 352.42 g/mol. Its IUPAC name is 5-[[bis(2-hydroxyethyl)amino]-(5-methylfuran-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name5-[[bis(2-hydroxyethyl)amino]-(5-methylfuran-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID110381689
Molecular FormulaC15H20N4O4S
Molecular Weight352.42 g/mol
Exact Mass352.12
IUPAC Name5-[[bis(2-hydroxyethyl)amino]-(5-methylfuran-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1nc2sc(C(c3ccc(C)o3)N(CCO)CCO)c(O)n2n1
InChIInChI=1S/C15H20N4O4S/c1-9-3-4-11(23-9)12(18(5-7-20)6-8-21)13-14(22)19-15(24-13)16-10(2)17-19/h3-4,12,20-22H,5-8H2,1-2H3
InChIKeyVCIQCGPZFDYNOF-UHFFFAOYSA-N
XLogP1.08
TPSA107.26 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

5-[[bis(2-hydroxyethyl)amino]-(2-ethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110381578
5-[(dipropylamino)-(furan-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382475
5-[(2-fluorophenyl)-[2-hydroxyethyl(methyl)amino]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110381977
5-[[bis(prop-2-enyl)amino]-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382507
1-[4-[(S)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(5-methylfuran-2-yl)methyl]piperazin-4-ium-1-yl]ethanone
CID 7475789
11-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(5-methylfuran-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 163089641
5-[[butyl(methyl)amino]-(5-methylfuran-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382569
5-[diethylamino-(2,3-dimethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110381652
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
5-[[benzyl(methyl)amino]-(2-chlorophenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 16807634
5-[diethylamino(furan-2-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382510
5-[(R)-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-thiophen-2-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7105449

Frequently Asked Questions

What is the IUPAC name of 5-[[bis(2-hydroxyethyl)amino]-(5-methylfuran-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 5-[[bis(2-hydroxyethyl)amino]-(5-methylfuran-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 110381689) is 5-[[bis(2-hydroxyethyl)amino]-(5-methylfuran-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 5-[[bis(2-hydroxyethyl)amino]-(5-methylfuran-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 5-[[bis(2-hydroxyethyl)amino]-(5-methylfuran-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is Cc1nc2sc(C(c3ccc(C)o3)N(CCO)CCO)c(O)n2n1.
What is the InChIKey of 5-[[bis(2-hydroxyethyl)amino]-(5-methylfuran-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is VCIQCGPZFDYNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S/c1-9-3-4-11(23-9)12(18(5-7-20)6-8-21)13-14(22)19-15(24-13)16-10(2)17-19/h3-4,12,20-22H,5-8H2,1-2H3.
What are the key properties of 5-[[bis(2-hydroxyethyl)amino]-(5-methylfuran-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
5-[[bis(2-hydroxyethyl)amino]-(5-methylfuran-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 352.42 g/mol, XLogP of 1.08, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[bis(2-hydroxyethyl)amino]-(5-methylfuran-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 110381689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).