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

C19H21N4O3S+ — CID 7286707

IUPAC2-(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
SMILESCC1CC[NH+]([C@H](c2ccco2)c2sc3nc(-c4ccco4)nn3c2O)CC1
InChIInChI=1S/C19H20N4O3S/c1-12-6-8-22(9-7-12)15(13-4-2-10-25-13)16-18(24)23-19(27-16)20-17(21-23)14-5-3-11-26-14/h2-5,10-12,15,24H,6-9H2,1H3/p+1/t15-/m1/s1
InChIKeyBAZQXYLUEDIDGP-OAHLLOKOSA-O
MW385.47 g/mol
LogP2.75
Rot. Bonds4

About 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

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 (PubChem CID 7286707) has the molecular formula C19H21N4O3S+ and a molecular weight of 385.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID7286707
Molecular FormulaC19H21N4O3S+
Molecular Weight385.47 g/mol
Exact Mass385.13
IUPAC Name2-(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
SMILESCC1CC[NH+]([C@H](c2ccco2)c2sc3nc(-c4ccco4)nn3c2O)CC1
InChIInChI=1S/C19H20N4O3S/c1-12-6-8-22(9-7-12)15(13-4-2-10-25-13)16-18(24)23-19(27-16)20-17(21-23)14-5-3-11-26-14/h2-5,10-12,15,24H,6-9H2,1H3/p+1/t15-/m1/s1
InChIKeyBAZQXYLUEDIDGP-OAHLLOKOSA-O
XLogP2.75
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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
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
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
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)-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-(furan-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7105355
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
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
1-[furan-2-yl-[2-(furan-2-yl)-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]methyl]piperidine-4-carboxamide
CID 16810375
5-[(R)-(2,4-dichlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methyl]-2-(furan-2-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 98382040
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-[(S)-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-(furan-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7172883
5-[(S)-(4-ethylpiperazine-1,4-diium-1-yl)-(furan-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 2049691

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CC[NH+]([C@H](c2ccco2)c2sc3nc(-c4ccco4)nn3c2O)CC1.
What is the InChIKey of 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?
The InChIKey is BAZQXYLUEDIDGP-OAHLLOKOSA-O. The full InChI is InChI=1S/C19H20N4O3S/c1-12-6-8-22(9-7-12)15(13-4-2-10-25-13)16-18(24)23-19(27-16)20-17(21-23)14-5-3-11-26-14/h2-5,10-12,15,24H,6-9H2,1H3/p+1/t15-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 385.47 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 7286707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).