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

C19H22N4O3S — CID 110381883

IUPAC1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-propan-2-yloxyphenyl)methyl]piperidin-4-one
SMILESCC(C)Oc1ccc(C(c2sc3ncnn3c2O)N2CCC(=O)CC2)cc1
InChIInChI=1S/C19H22N4O3S/c1-12(2)26-15-5-3-13(4-6-15)16(22-9-7-14(24)8-10-22)17-18(25)23-19(27-17)20-11-21-23/h3-6,11-12,16,25H,7-10H2,1-2H3
InChIKeyUXQOXPNKGNUOJI-UHFFFAOYSA-N
MW386.48 g/mol
LogP3.04
Rot. Bonds5

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

1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-propan-2-yloxyphenyl)methyl]piperidin-4-one (PubChem CID 110381883) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-propan-2-yloxyphenyl)methyl]piperidin-4-one.

Molecular Properties

Compound Name1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-propan-2-yloxyphenyl)methyl]piperidin-4-one
PubChem CID110381883
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-propan-2-yloxyphenyl)methyl]piperidin-4-one
SMILESCC(C)Oc1ccc(C(c2sc3ncnn3c2O)N2CCC(=O)CC2)cc1
InChIInChI=1S/C19H22N4O3S/c1-12(2)26-15-5-3-13(4-6-15)16(22-9-7-14(24)8-10-22)17-18(25)23-19(27-17)20-11-21-23/h3-6,11-12,16,25H,7-10H2,1-2H3
InChIKeyUXQOXPNKGNUOJI-UHFFFAOYSA-N
XLogP3.04
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(4-methoxyphenyl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382139
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
5-[azepan-1-yl-(4-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382141
5-[(4-benzhydrylpiperazin-1-yl)-(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 4092559
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
5-[phenyl(piperidin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 3543391
5-[[bis(2-hydroxyethyl)amino]-(4-propan-2-yloxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110381629
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-[(3,5-dimethoxyphenyl)-piperidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 91822053
5-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 4049117
tert-butyl 4-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-phenylmethyl]piperazine-1-carboxylate
CID 91823106

Frequently Asked Questions

What is the IUPAC name of 1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-propan-2-yloxyphenyl)methyl]piperidin-4-one?
The IUPAC name of 1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-propan-2-yloxyphenyl)methyl]piperidin-4-one (CID 110381883) is 1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-propan-2-yloxyphenyl)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)-(4-propan-2-yloxyphenyl)methyl]piperidin-4-one?
The canonical SMILES for 1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-propan-2-yloxyphenyl)methyl]piperidin-4-one is CC(C)Oc1ccc(C(c2sc3ncnn3c2O)N2CCC(=O)CC2)cc1.
What is the InChIKey of 1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-propan-2-yloxyphenyl)methyl]piperidin-4-one?
The InChIKey is UXQOXPNKGNUOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-12(2)26-15-5-3-13(4-6-15)16(22-9-7-14(24)8-10-22)17-18(25)23-19(27-17)20-11-21-23/h3-6,11-12,16,25H,7-10H2,1-2H3.
What are the key properties of 1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-propan-2-yloxyphenyl)methyl]piperidin-4-one?
1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-propan-2-yloxyphenyl)methyl]piperidin-4-one has a molecular weight of 386.48 g/mol, XLogP of 3.04, 5 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)-(4-propan-2-yloxyphenyl)methyl]piperidin-4-one is sourced from PubChem (CID 110381883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).