3-[[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole

C17H20N4O2S — CID 134033856

IUPAC3-[[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN(Cc3csc(-c4ccco4)n3)CC2)no1
InChIInChI=1S/C17H20N4O2S/c1-13-9-14(19-23-13)10-20-4-6-21(7-5-20)11-15-12-24-17(18-15)16-3-2-8-22-16/h2-3,8-9,12H,4-7,10-11H2,1H3
InChIKeyKIIMAIKHVPELDE-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.02
Rot. Bonds5

About 3-[[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole

3-[[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 134033856) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 3-[[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID134033856
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name3-[[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN(Cc3csc(-c4ccco4)n3)CC2)no1
InChIInChI=1S/C17H20N4O2S/c1-13-9-14(19-23-13)10-20-4-6-21(7-5-20)11-15-12-24-17(18-15)16-3-2-8-22-16/h2-3,8-9,12H,4-7,10-11H2,1H3
InChIKeyKIIMAIKHVPELDE-UHFFFAOYSA-N
XLogP3.02
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (CID 134033856) is 3-[[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is Cc1cc(CN2CCN(Cc3csc(-c4ccco4)n3)CC2)no1.
What is the InChIKey of 3-[[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is KIIMAIKHVPELDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-13-9-14(19-23-13)10-20-4-6-21(7-5-20)11-15-12-24-17(18-15)16-3-2-8-22-16/h2-3,8-9,12H,4-7,10-11H2,1H3.
What are the key properties of 3-[[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
3-[[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 344.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 134033856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).