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

C21H21N5O3S — CID 3236038

IUPACfuran-2-yl-[4-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-phenylmethyl]piperazin-1-yl]methanone
SMILESCc1nc2sc(C(c3ccccc3)N3CCN(C(=O)c4ccco4)CC3)c(O)n2n1
InChIInChI=1S/C21H21N5O3S/c1-14-22-21-26(23-14)20(28)18(30-21)17(15-6-3-2-4-7-15)24-9-11-25(12-10-24)19(27)16-8-5-13-29-16/h2-8,13,17,28H,9-12H2,1H3
InChIKeyJJFZPQIDJQXIED-UHFFFAOYSA-N
MW423.50 g/mol
LogP2.95
Rot. Bonds4

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

furan-2-yl-[4-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-phenylmethyl]piperazin-1-yl]methanone (PubChem CID 3236038) has the molecular formula C21H21N5O3S and a molecular weight of 423.50 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)-phenylmethyl]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)-phenylmethyl]piperazin-1-yl]methanone
PubChem CID3236038
Molecular FormulaC21H21N5O3S
Molecular Weight423.50 g/mol
Exact Mass423.14
IUPAC Namefuran-2-yl-[4-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-phenylmethyl]piperazin-1-yl]methanone
SMILESCc1nc2sc(C(c3ccccc3)N3CCN(C(=O)c4ccco4)CC3)c(O)n2n1
InChIInChI=1S/C21H21N5O3S/c1-14-22-21-26(23-14)20(28)18(30-21)17(15-6-3-2-4-7-15)24-9-11-25(12-10-24)19(27)16-8-5-13-29-16/h2-8,13,17,28H,9-12H2,1H3
InChIKeyJJFZPQIDJQXIED-UHFFFAOYSA-N
XLogP2.95
TPSA87.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.50
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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)-phenylmethyl]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)-phenylmethyl]piperazin-1-yl]methanone (CID 3236038) is furan-2-yl-[4-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-phenylmethyl]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)-phenylmethyl]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)-phenylmethyl]piperazin-1-yl]methanone is Cc1nc2sc(C(c3ccccc3)N3CCN(C(=O)c4ccco4)CC3)c(O)n2n1.
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)-phenylmethyl]piperazin-1-yl]methanone?
The InChIKey is JJFZPQIDJQXIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3S/c1-14-22-21-26(23-14)20(28)18(30-21)17(15-6-3-2-4-7-15)24-9-11-25(12-10-24)19(27)16-8-5-13-29-16/h2-8,13,17,28H,9-12H2,1H3.
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)-phenylmethyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-phenylmethyl]piperazin-1-yl]methanone has a molecular weight of 423.50 g/mol, XLogP of 2.95, 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)-phenylmethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 3236038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).