5-[[ethyl(2-hydroxyethyl)amino]-thiophen-2-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C17H18N4O3S2 — CID 110382132

IUPAC5-[[ethyl(2-hydroxyethyl)amino]-thiophen-2-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCCN(CCO)C(c1cccs1)c1sc2nc(-c3ccco3)nn2c1O
InChIInChI=1S/C17H18N4O3S2/c1-2-20(7-8-22)13(12-6-4-10-25-12)14-16(23)21-17(26-14)18-15(19-21)11-5-3-9-24-11/h3-6,9-10,13,22-23H,2,7-8H2,1H3
InChIKeyFHBHHQJWPCIQES-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.22
Rot. Bonds7

About 5-[[ethyl(2-hydroxyethyl)amino]-thiophen-2-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

5-[[ethyl(2-hydroxyethyl)amino]-thiophen-2-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 110382132) has the molecular formula C17H18N4O3S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 5-[[ethyl(2-hydroxyethyl)amino]-thiophen-2-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name5-[[ethyl(2-hydroxyethyl)amino]-thiophen-2-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID110382132
Molecular FormulaC17H18N4O3S2
Molecular Weight390.49 g/mol
Exact Mass390.08
IUPAC Name5-[[ethyl(2-hydroxyethyl)amino]-thiophen-2-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCCN(CCO)C(c1cccs1)c1sc2nc(-c3ccco3)nn2c1O
InChIInChI=1S/C17H18N4O3S2/c1-2-20(7-8-22)13(12-6-4-10-25-12)14-16(23)21-17(26-14)18-15(19-21)11-5-3-9-24-11/h3-6,9-10,13,22-23H,2,7-8H2,1H3
InChIKeyFHBHHQJWPCIQES-UHFFFAOYSA-N
XLogP3.22
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

5-[(R)-(4-ethylpiperazin-1-yl)-thiophen-2-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7286700
5-[diethylamino(furan-2-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382510
5-[(S)-(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 30634095
5-[(dipropylamino)-(furan-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382475
5-[(S)-(2-chlorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 30631372
2-(furan-2-yl)-5-[(S)-phenyl(pyrrolidin-1-ium-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7286495
2-(furan-2-yl)-5-[(S)-(4-methylphenyl)-pyrrolidin-1-ium-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7286633
ethyl 4-[[2-(furan-2-yl)-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-phenylmethyl]piperazine-1-carboxylate
CID 16810228
1-[4-[[2-(furan-2-yl)-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-phenylmethyl]piperazin-1-yl]ethanone
CID 16810233
5-[(R)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-phenylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 98381931
2-(furan-2-yl)-5-[(R)-(3-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 30631490
5-[(R)-(4-chlorophenyl)-pyrrolidin-1-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7286552

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(2-hydroxyethyl)amino]-thiophen-2-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 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) is 5-[[ethyl(2-hydroxyethyl)amino]-thiophen-2-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 5-[[ethyl(2-hydroxyethyl)amino]-thiophen-2-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 5-[[ethyl(2-hydroxyethyl)amino]-thiophen-2-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is CCN(CCO)C(c1cccs1)c1sc2nc(-c3ccco3)nn2c1O.
What is the InChIKey of 5-[[ethyl(2-hydroxyethyl)amino]-thiophen-2-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is FHBHHQJWPCIQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S2/c1-2-20(7-8-22)13(12-6-4-10-25-12)14-16(23)21-17(26-14)18-15(19-21)11-5-3-9-24-11/h3-6,9-10,13,22-23H,2,7-8H2,1H3.
What are the key properties of 5-[[ethyl(2-hydroxyethyl)amino]-thiophen-2-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
5-[[ethyl(2-hydroxyethyl)amino]-thiophen-2-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 390.49 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(2-hydroxyethyl)amino]-thiophen-2-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 110382132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).