furan-2-yl-[4-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-methylphenyl)methyl]piperazin-1-yl]methanone

C22H23N5O3S — CID 3244275

IUPACfuran-2-yl-[4-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCc1ccc(C(c2sc3nc(C)nn3c2O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C22H23N5O3S/c1-14-5-7-16(8-6-14)18(19-21(29)27-22(31-19)23-15(2)24-27)25-9-11-26(12-10-25)20(28)17-4-3-13-30-17/h3-8,13,18,29H,9-12H2,1-2H3
InChIKeyPNMWCLHMQBGKAW-UHFFFAOYSA-N
MW437.53 g/mol
LogP3.25
Rot. Bonds4

About furan-2-yl-[4-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-methylphenyl)methyl]piperazin-1-yl]methanone

furan-2-yl-[4-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-methylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 3244275) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is furan-2-yl-[4-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-methylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-methylphenyl)methyl]piperazin-1-yl]methanone
PubChem CID3244275
Molecular FormulaC22H23N5O3S
Molecular Weight437.53 g/mol
Exact Mass437.15
IUPAC Namefuran-2-yl-[4-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCc1ccc(C(c2sc3nc(C)nn3c2O)N2CCN(C(=O)c3ccco3)CC2)cc1
InChIInChI=1S/C22H23N5O3S/c1-14-5-7-16(8-6-14)18(19-21(29)27-22(31-19)23-15(2)24-27)25-9-11-26(12-10-25)20(28)17-4-3-13-30-17/h3-8,13,18,29H,9-12H2,1-2H3
InChIKeyPNMWCLHMQBGKAW-UHFFFAOYSA-N
XLogP3.25
TPSA87.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze furan-2-yl-[4-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-methylphenyl)methyl]piperazin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-methylphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-methylphenyl)methyl]piperazin-1-yl]methanone (CID 3244275) is furan-2-yl-[4-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-methylphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-methylphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-methylphenyl)methyl]piperazin-1-yl]methanone is Cc1ccc(C(c2sc3nc(C)nn3c2O)N2CCN(C(=O)c3ccco3)CC2)cc1.
What is the InChIKey of furan-2-yl-[4-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-methylphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is PNMWCLHMQBGKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S/c1-14-5-7-16(8-6-14)18(19-21(29)27-22(31-19)23-15(2)24-27)25-9-11-26(12-10-25)20(28)17-4-3-13-30-17/h3-8,13,18,29H,9-12H2,1-2H3.
What are the key properties of furan-2-yl-[4-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-methylphenyl)methyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-methylphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 437.53 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-methylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 3244275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).