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

C20H21N4O2S+ — CID 7286633

IUPAC2-(furan-2-yl)-5-[(S)-(4-methylphenyl)-pyrrolidin-1-ium-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1ccc([C@@H](c2sc3nc(-c4ccco4)nn3c2O)[NH+]2CCCC2)cc1
InChIInChI=1S/C20H20N4O2S/c1-13-6-8-14(9-7-13)16(23-10-2-3-11-23)17-19(25)24-20(27-17)21-18(22-24)15-5-4-12-26-15/h4-9,12,16,25H,2-3,10-11H2,1H3/p+1/t16-/m0/s1
InChIKeyQXWNZCRLPXBUEP-INIZCTEOSA-O
MW381.48 g/mol
LogP2.83
Rot. Bonds4

About 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

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 (PubChem CID 7286633) has the molecular formula C20H21N4O2S+ and a molecular weight of 381.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[(S)-(4-methylphenyl)-pyrrolidin-1-ium-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID7286633
Molecular FormulaC20H21N4O2S+
Molecular Weight381.48 g/mol
Exact Mass381.14
IUPAC Name2-(furan-2-yl)-5-[(S)-(4-methylphenyl)-pyrrolidin-1-ium-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1ccc([C@@H](c2sc3nc(-c4ccco4)nn3c2O)[NH+]2CCCC2)cc1
InChIInChI=1S/C20H20N4O2S/c1-13-6-8-14(9-7-13)16(23-10-2-3-11-23)17-19(25)24-20(27-17)21-18(22-24)15-5-4-12-26-15/h4-9,12,16,25H,2-3,10-11H2,1H3/p+1/t16-/m0/s1
InChIKeyQXWNZCRLPXBUEP-INIZCTEOSA-O
XLogP2.83
TPSA68.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 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

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
5-[(S)-(4-fluorophenyl)-morpholin-4-ium-4-ylmethyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7286610
5-[(S)-(4-fluorophenyl)-[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7286602
2-(furan-2-yl)-5-[(R)-furan-2-yl-(4-methylpiperidin-1-ium-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7286707
2-methyl-5-[(S)-(4-methylphenyl)-(4-methylpiperazine-1,4-diium-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7104813
2-(furan-2-yl)-5-[(R)-(4-methylphenyl)-[(3S)-3-methylpiperidin-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7286644
5-[(R)-(4-ethylpiperazine-1,4-diium-1-yl)-(4-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7104819
2-methyl-5-[(R)-phenyl(piperidin-1-ium-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7104709
5-[(S)-(4-benzylpiperazin-1-yl)-(4-methylphenyl)methyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 30634170
5-[(S)-[4-(3-chlorophenyl)piperazin-1-yl]-(4-methylphenyl)methyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 30675022
methyl 1-[[2-(furan-2-yl)-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-(4-methylphenyl)methyl]piperidine-4-carboxylate
CID 18574973
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc([C@@H](c2sc3nc(-c4ccco4)nn3c2O)[NH+]2CCCC2)cc1.
What is the InChIKey of 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?
The InChIKey is QXWNZCRLPXBUEP-INIZCTEOSA-O. The full InChI is InChI=1S/C20H20N4O2S/c1-13-6-8-14(9-7-13)16(23-10-2-3-11-23)17-19(25)24-20(27-17)21-18(22-24)15-5-4-12-26-15/h4-9,12,16,25H,2-3,10-11H2,1H3/p+1/t16-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 381.48 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 7286633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).