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

C17H22N4O2S — CID 110381958

IUPAC5-[diethylamino-(2-methoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCCN(CC)C(c1ccccc1OC)c1sc2nc(C)nn2c1O
InChIInChI=1S/C17H22N4O2S/c1-5-20(6-2)14(12-9-7-8-10-13(12)23-4)15-16(22)21-17(24-15)18-11(3)19-21/h7-10,14,22H,5-6H2,1-4H3
InChIKeyVMJRHOQHCTYEOU-UHFFFAOYSA-N
MW346.46 g/mol
LogP3.24
Rot. Bonds6

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

5-[diethylamino-(2-methoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 110381958) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 5-[diethylamino-(2-methoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name5-[diethylamino-(2-methoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID110381958
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name5-[diethylamino-(2-methoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCCN(CC)C(c1ccccc1OC)c1sc2nc(C)nn2c1O
InChIInChI=1S/C17H22N4O2S/c1-5-20(6-2)14(12-9-7-8-10-13(12)23-4)15-16(22)21-17(24-15)18-11(3)19-21/h7-10,14,22H,5-6H2,1-4H3
InChIKeyVMJRHOQHCTYEOU-UHFFFAOYSA-N
XLogP3.24
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[diethylamino-(2,3-dimethoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110381652
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)-[benzyl(methyl)amino]-(2-methoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7198922
5-[diethylamino-(2-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382153
5-[(S)-(4-ethylpiperazin-1-yl)-(2-methoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7475726
5-[diethylamino-(2-ethoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382260
5-[(2-methoxyphenyl)-piperidin-1-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 44892645
5-[[bis(prop-2-enyl)amino]-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382507
5-[(2-fluorophenyl)-[2-hydroxyethyl(methyl)amino]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110381977
5-[(dipropylamino)-(furan-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382475
5-[[benzyl(methyl)amino]-(2-chlorophenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 16807634
5-[[bis(2-hydroxyethyl)amino]-(5-methylfuran-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110381689

Frequently Asked Questions

What is the IUPAC name of 5-[diethylamino-(2-methoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 5-[diethylamino-(2-methoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 110381958) is 5-[diethylamino-(2-methoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 5-[diethylamino-(2-methoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 5-[diethylamino-(2-methoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is CCN(CC)C(c1ccccc1OC)c1sc2nc(C)nn2c1O.
What is the InChIKey of 5-[diethylamino-(2-methoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is VMJRHOQHCTYEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-5-20(6-2)14(12-9-7-8-10-13(12)23-4)15-16(22)21-17(24-15)18-11(3)19-21/h7-10,14,22H,5-6H2,1-4H3.
What are the key properties of 5-[diethylamino-(2-methoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
5-[diethylamino-(2-methoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 346.46 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[diethylamino-(2-methoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 110381958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).