5-[diethylamino-(3-propan-2-yloxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C18H24N4O2S — CID 110382271

IUPAC5-[diethylamino-(3-propan-2-yloxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCCN(CC)C(c1cccc(OC(C)C)c1)c1sc2ncnn2c1O
InChIInChI=1S/C18H24N4O2S/c1-5-21(6-2)15(13-8-7-9-14(10-13)24-12(3)4)16-17(23)22-18(25-16)19-11-20-22/h7-12,15,23H,5-6H2,1-4H3
InChIKeyONPSBABTRYTNMK-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.71
Rot. Bonds7

About 5-[diethylamino-(3-propan-2-yloxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

5-[diethylamino-(3-propan-2-yloxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 110382271) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 5-[diethylamino-(3-propan-2-yloxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name5-[diethylamino-(3-propan-2-yloxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID110382271
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name5-[diethylamino-(3-propan-2-yloxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCCN(CC)C(c1cccc(OC(C)C)c1)c1sc2ncnn2c1O
InChIInChI=1S/C18H24N4O2S/c1-5-21(6-2)15(13-8-7-9-14(10-13)24-12(3)4)16-17(23)22-18(25-16)19-11-20-22/h7-12,15,23H,5-6H2,1-4H3
InChIKeyONPSBABTRYTNMK-UHFFFAOYSA-N
XLogP3.71
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[butyl(methyl)amino]-(4-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382143
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
5-[(3-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 4190805
5-[(4-benzhydrylpiperazin-1-yl)-(4-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 4092559
5-[(3,5-dimethoxyphenyl)-piperidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 91822053
5-[[4-(2-hydroxyethyl)piperazin-1-yl]-(3-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110381832
5-[diethylamino-(2-methoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110381958
(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098
2-ethyl-5-[(S)-(3-methoxyphenyl)-(4-methylpiperazine-1,4-diium-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7294233
5-[(S)-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-phenylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7172840
5-[(R)-(3-fluorophenyl)-(4-phenylpiperazin-1-ium-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 2149163
5-[diethylamino-(2,3-dimethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110381652

Frequently Asked Questions

What is the IUPAC name of 5-[diethylamino-(3-propan-2-yloxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 5-[diethylamino-(3-propan-2-yloxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 110382271) is 5-[diethylamino-(3-propan-2-yloxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 5-[diethylamino-(3-propan-2-yloxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 5-[diethylamino-(3-propan-2-yloxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is CCN(CC)C(c1cccc(OC(C)C)c1)c1sc2ncnn2c1O.
What is the InChIKey of 5-[diethylamino-(3-propan-2-yloxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is ONPSBABTRYTNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-5-21(6-2)15(13-8-7-9-14(10-13)24-12(3)4)16-17(23)22-18(25-16)19-11-20-22/h7-12,15,23H,5-6H2,1-4H3.
What are the key properties of 5-[diethylamino-(3-propan-2-yloxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
5-[diethylamino-(3-propan-2-yloxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 360.48 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[diethylamino-(3-propan-2-yloxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 110382271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).