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

C14H14Cl2N4O2S — CID 110382180

IUPAC5-[(2,4-dichlorophenyl)-[2-hydroxyethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCN(CCO)C(c1ccc(Cl)cc1Cl)c1sc2ncnn2c1O
InChIInChI=1S/C14H14Cl2N4O2S/c1-19(4-5-21)11(9-3-2-8(15)6-10(9)16)12-13(22)20-14(23-12)17-7-18-20/h2-3,6-7,11,21-22H,4-5H2,1H3
InChIKeyHDHRKLZRRQTYMV-UHFFFAOYSA-N
MW373.27 g/mol
LogP2.82
Rot. Bonds5

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

5-[(2,4-dichlorophenyl)-[2-hydroxyethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 110382180) has the molecular formula C14H14Cl2N4O2S and a molecular weight of 373.27 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenyl)-[2-hydroxyethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name5-[(2,4-dichlorophenyl)-[2-hydroxyethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID110382180
Molecular FormulaC14H14Cl2N4O2S
Molecular Weight373.27 g/mol
Exact Mass372.02
IUPAC Name5-[(2,4-dichlorophenyl)-[2-hydroxyethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCN(CCO)C(c1ccc(Cl)cc1Cl)c1sc2ncnn2c1O
InChIInChI=1S/C14H14Cl2N4O2S/c1-19(4-5-21)11(9-3-2-8(15)6-10(9)16)12-13(22)20-14(23-12)17-7-18-20/h2-3,6-7,11,21-22H,4-5H2,1H3
InChIKeyHDHRKLZRRQTYMV-UHFFFAOYSA-N
XLogP2.82
TPSA73.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.27
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenyl)-[2-hydroxyethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 5-[(2,4-dichlorophenyl)-[2-hydroxyethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 110382180) is 5-[(2,4-dichlorophenyl)-[2-hydroxyethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 5-[(2,4-dichlorophenyl)-[2-hydroxyethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 5-[(2,4-dichlorophenyl)-[2-hydroxyethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is CN(CCO)C(c1ccc(Cl)cc1Cl)c1sc2ncnn2c1O.
What is the InChIKey of 5-[(2,4-dichlorophenyl)-[2-hydroxyethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is HDHRKLZRRQTYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O2S/c1-19(4-5-21)11(9-3-2-8(15)6-10(9)16)12-13(22)20-14(23-12)17-7-18-20/h2-3,6-7,11,21-22H,4-5H2,1H3.
What are the key properties of 5-[(2,4-dichlorophenyl)-[2-hydroxyethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
5-[(2,4-dichlorophenyl)-[2-hydroxyethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 373.27 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichlorophenyl)-[2-hydroxyethyl(methyl)amino]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 110382180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).