1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(5-methylfuran-2-yl)methyl]piperidin-4-one

C15H16N4O3S — CID 110382242

IUPAC1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(5-methylfuran-2-yl)methyl]piperidin-4-one
SMILESCc1ccc(C(c2sc3ncnn3c2O)N2CCC(=O)CC2)o1
InChIInChI=1S/C15H16N4O3S/c1-9-2-3-11(22-9)12(18-6-4-10(20)5-7-18)13-14(21)19-15(23-13)16-8-17-19/h2-3,8,12,21H,4-7H2,1H3
InChIKeyYEYKGTLNACXGAC-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.15
Rot. Bonds3

About 1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(5-methylfuran-2-yl)methyl]piperidin-4-one

1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(5-methylfuran-2-yl)methyl]piperidin-4-one (PubChem CID 110382242) has the molecular formula C15H16N4O3S and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(5-methylfuran-2-yl)methyl]piperidin-4-one.

Molecular Properties

Compound Name1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(5-methylfuran-2-yl)methyl]piperidin-4-one
PubChem CID110382242
Molecular FormulaC15H16N4O3S
Molecular Weight332.38 g/mol
Exact Mass332.09
IUPAC Name1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(5-methylfuran-2-yl)methyl]piperidin-4-one
SMILESCc1ccc(C(c2sc3ncnn3c2O)N2CCC(=O)CC2)o1
InChIInChI=1S/C15H16N4O3S/c1-9-2-3-11(22-9)12(18-6-4-10(20)5-7-18)13-14(21)19-15(23-13)16-8-17-19/h2-3,8,12,21H,4-7H2,1H3
InChIKeyYEYKGTLNACXGAC-UHFFFAOYSA-N
XLogP2.15
TPSA83.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(5-methylfuran-2-yl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 91820888
5-[(4-benzhydrylpiperazin-1-yl)-(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 4092559
5-[(4-methoxyphenyl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382139
5-[(R)-furan-2-yl(piperidin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 2144949
5-[(4-ethylpiperazin-1-yl)-(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 4280249
5-[3,4-dihydro-1H-isoquinolin-2-yl(phenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 3438022
5-[[butyl(methyl)amino]-(5-methylfuran-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382569
5-[phenyl(piperidin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 3543391
5-[piperidin-1-yl(thiophen-3-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 102564348
5-[(3,4-dichlorophenyl)-morpholin-4-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382171
5-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 16807458
5-[(R)-(4-fluorophenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 2049670

Frequently Asked Questions

What is the IUPAC name of 1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(5-methylfuran-2-yl)methyl]piperidin-4-one?
The IUPAC name of 1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(5-methylfuran-2-yl)methyl]piperidin-4-one (CID 110382242) is 1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(5-methylfuran-2-yl)methyl]piperidin-4-one.
What is the SMILES notation for 1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(5-methylfuran-2-yl)methyl]piperidin-4-one?
The canonical SMILES for 1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(5-methylfuran-2-yl)methyl]piperidin-4-one is Cc1ccc(C(c2sc3ncnn3c2O)N2CCC(=O)CC2)o1.
What is the InChIKey of 1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(5-methylfuran-2-yl)methyl]piperidin-4-one?
The InChIKey is YEYKGTLNACXGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-9-2-3-11(22-9)12(18-6-4-10(20)5-7-18)13-14(21)19-15(23-13)16-8-17-19/h2-3,8,12,21H,4-7H2,1H3.
What are the key properties of 1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(5-methylfuran-2-yl)methyl]piperidin-4-one?
1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(5-methylfuran-2-yl)methyl]piperidin-4-one has a molecular weight of 332.38 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(5-methylfuran-2-yl)methyl]piperidin-4-one is sourced from PubChem (CID 110382242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).