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

C18H24N4O4S — CID 110381629

IUPAC5-[[bis(2-hydroxyethyl)amino]-(4-propan-2-yloxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCC(C)Oc1ccc(C(c2sc3ncnn3c2O)N(CCO)CCO)cc1
InChIInChI=1S/C18H24N4O4S/c1-12(2)26-14-5-3-13(4-6-14)15(21(7-9-23)8-10-24)16-17(25)22-18(27-16)19-11-20-22/h3-6,11-12,15,23-25H,7-10H2,1-2H3
InChIKeyLWVBLOQHZHRRNI-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.66
Rot. Bonds9

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

5-[[bis(2-hydroxyethyl)amino]-(4-propan-2-yloxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 110381629) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is 5-[[bis(2-hydroxyethyl)amino]-(4-propan-2-yloxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name5-[[bis(2-hydroxyethyl)amino]-(4-propan-2-yloxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID110381629
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name5-[[bis(2-hydroxyethyl)amino]-(4-propan-2-yloxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCC(C)Oc1ccc(C(c2sc3ncnn3c2O)N(CCO)CCO)cc1
InChIInChI=1S/C18H24N4O4S/c1-12(2)26-14-5-3-13(4-6-14)15(21(7-9-23)8-10-24)16-17(25)22-18(27-16)19-11-20-22/h3-6,11-12,15,23-25H,7-10H2,1-2H3
InChIKeyLWVBLOQHZHRRNI-UHFFFAOYSA-N
XLogP1.66
TPSA103.35 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

5-[(3,4-dimethoxyphenyl)-[ethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110381596
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-[(2,4-dichlorophenyl)-[2-hydroxyethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382180
5-[diethylamino-(2-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382153
5-[azepan-1-yl-(4-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382141
5-[(R)-(3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 2149037
5-[(S)-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-(4-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7172857
5-[(R)-[benzyl(methyl)amino]-(1-methylpyrazol-4-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 124846406
5-[[bis(2-hydroxyethyl)amino]-(2-ethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110381578
5-[(S)-phenyl(piperidin-1-ium-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 2148857
5-[(3,5-dimethoxyphenyl)-piperidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 91822053
5-[(R)-(3,4-dimethoxyphenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 98377517

Frequently Asked Questions

What is the IUPAC name of 5-[[bis(2-hydroxyethyl)amino]-(4-propan-2-yloxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 5-[[bis(2-hydroxyethyl)amino]-(4-propan-2-yloxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 110381629) is 5-[[bis(2-hydroxyethyl)amino]-(4-propan-2-yloxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 5-[[bis(2-hydroxyethyl)amino]-(4-propan-2-yloxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 5-[[bis(2-hydroxyethyl)amino]-(4-propan-2-yloxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is CC(C)Oc1ccc(C(c2sc3ncnn3c2O)N(CCO)CCO)cc1.
What is the InChIKey of 5-[[bis(2-hydroxyethyl)amino]-(4-propan-2-yloxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is LWVBLOQHZHRRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-12(2)26-14-5-3-13(4-6-14)15(21(7-9-23)8-10-24)16-17(25)22-18(27-16)19-11-20-22/h3-6,11-12,15,23-25H,7-10H2,1-2H3.
What are the key properties of 5-[[bis(2-hydroxyethyl)amino]-(4-propan-2-yloxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
5-[[bis(2-hydroxyethyl)amino]-(4-propan-2-yloxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 392.48 g/mol, XLogP of 1.66, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[bis(2-hydroxyethyl)amino]-(4-propan-2-yloxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 110381629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).