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

C17H20N4O2S — CID 110382511

IUPAC5-[[bis(prop-2-enyl)amino]-(furan-2-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESC=CCN(CC=C)C(c1ccco1)c1sc2nc(CC)nn2c1O
InChIInChI=1S/C17H20N4O2S/c1-4-9-20(10-5-2)14(12-8-7-11-23-12)15-16(22)21-17(24-15)18-13(6-3)19-21/h4-5,7-8,11,14,22H,1-2,6,9-10H2,3H3
InChIKeyXVSAKNIZMWHUDF-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.42
Rot. Bonds8

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

5-[[bis(prop-2-enyl)amino]-(furan-2-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 110382511) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 5-[[bis(prop-2-enyl)amino]-(furan-2-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name5-[[bis(prop-2-enyl)amino]-(furan-2-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID110382511
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name5-[[bis(prop-2-enyl)amino]-(furan-2-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESC=CCN(CC=C)C(c1ccco1)c1sc2nc(CC)nn2c1O
InChIInChI=1S/C17H20N4O2S/c1-4-9-20(10-5-2)14(12-8-7-11-23-12)15-16(22)21-17(24-15)18-13(6-3)19-21/h4-5,7-8,11,14,22H,1-2,6,9-10H2,3H3
InChIKeyXVSAKNIZMWHUDF-UHFFFAOYSA-N
XLogP3.42
TPSA66.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-[[bis(prop-2-enyl)amino]-(furan-2-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[diethylamino(furan-2-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382510
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
[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
5-[[bis(prop-2-enyl)amino]-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382507
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
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
[4-[(S)-(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 42545537

Frequently Asked Questions

What is the IUPAC name of 5-[[bis(prop-2-enyl)amino]-(furan-2-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 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) is 5-[[bis(prop-2-enyl)amino]-(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-[[bis(prop-2-enyl)amino]-(furan-2-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 5-[[bis(prop-2-enyl)amino]-(furan-2-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is C=CCN(CC=C)C(c1ccco1)c1sc2nc(CC)nn2c1O.
What is the InChIKey of 5-[[bis(prop-2-enyl)amino]-(furan-2-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is XVSAKNIZMWHUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-4-9-20(10-5-2)14(12-8-7-11-23-12)15-16(22)21-17(24-15)18-13(6-3)19-21/h4-5,7-8,11,14,22H,1-2,6,9-10H2,3H3.
What are the key properties of 5-[[bis(prop-2-enyl)amino]-(furan-2-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
5-[[bis(prop-2-enyl)amino]-(furan-2-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 344.44 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[bis(prop-2-enyl)amino]-(furan-2-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 110382511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).