5-[[butyl(methyl)amino]-(4-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C17H22N4O2S — CID 110382143

IUPAC5-[[butyl(methyl)amino]-(4-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCCCCN(C)C(c1ccc(OC)cc1)c1sc2ncnn2c1O
InChIInChI=1S/C17H22N4O2S/c1-4-5-10-20(2)14(12-6-8-13(23-3)9-7-12)15-16(22)21-17(24-15)18-11-19-21/h6-9,11,14,22H,4-5,10H2,1-3H3
InChIKeyZFIVMSJZCXXICU-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.33
Rot. Bonds7

About 5-[[butyl(methyl)amino]-(4-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

5-[[butyl(methyl)amino]-(4-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 110382143) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 5-[[butyl(methyl)amino]-(4-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name5-[[butyl(methyl)amino]-(4-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID110382143
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name5-[[butyl(methyl)amino]-(4-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCCCCN(C)C(c1ccc(OC)cc1)c1sc2ncnn2c1O
InChIInChI=1S/C17H22N4O2S/c1-4-5-10-20(2)14(12-6-8-13(23-3)9-7-12)15-16(22)21-17(24-15)18-11-19-21/h6-9,11,14,22H,4-5,10H2,1-3H3
InChIKeyZFIVMSJZCXXICU-UHFFFAOYSA-N
XLogP3.33
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[butyl(methyl)amino]-(5-methylfuran-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382569
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-methoxyphenyl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382139
5-[azepan-1-yl-(4-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382141
5-[(3,4-dimethoxyphenyl)-[ethyl(2-hydroxyethyl)amino]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110381596
5-[diethylamino-(2-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382153
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-[(2,4-dichlorophenyl)-[2-hydroxyethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382180
5-[diethylamino-(3-propan-2-yloxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382271
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-[diethylamino-(2-ethoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382260
5-[(3-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 4190805

Frequently Asked Questions

What is the IUPAC name of 5-[[butyl(methyl)amino]-(4-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 5-[[butyl(methyl)amino]-(4-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 110382143) is 5-[[butyl(methyl)amino]-(4-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 5-[[butyl(methyl)amino]-(4-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 5-[[butyl(methyl)amino]-(4-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is CCCCN(C)C(c1ccc(OC)cc1)c1sc2ncnn2c1O.
What is the InChIKey of 5-[[butyl(methyl)amino]-(4-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is ZFIVMSJZCXXICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-4-5-10-20(2)14(12-6-8-13(23-3)9-7-12)15-16(22)21-17(24-15)18-11-19-21/h6-9,11,14,22H,4-5,10H2,1-3H3.
What are the key properties of 5-[[butyl(methyl)amino]-(4-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
5-[[butyl(methyl)amino]-(4-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 346.46 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[butyl(methyl)amino]-(4-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 110382143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).