5-[(4-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C18H21ClN4O2S — CID 3240335

IUPAC5-[(4-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1nc2sc(C(c3ccc(Cl)cc3)N3CC(C)OC(C)C3)c(O)n2n1
InChIInChI=1S/C18H21ClN4O2S/c1-10-8-22(9-11(2)25-10)15(13-4-6-14(19)7-5-13)16-17(24)23-18(26-16)20-12(3)21-23/h4-7,10-11,15,24H,8-9H2,1-3H3
InChIKeyOFBJGKJMVMTULR-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.66
Rot. Bonds3

About 5-[(4-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

5-[(4-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 3240335) has the molecular formula C18H21ClN4O2S and a molecular weight of 392.91 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name5-[(4-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID3240335
Molecular FormulaC18H21ClN4O2S
Molecular Weight392.91 g/mol
Exact Mass392.11
IUPAC Name5-[(4-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1nc2sc(C(c3ccc(Cl)cc3)N3CC(C)OC(C)C3)c(O)n2n1
InChIInChI=1S/C18H21ClN4O2S/c1-10-8-22(9-11(2)25-10)15(13-4-6-14(19)7-5-13)16-17(24)23-18(26-16)20-12(3)21-23/h4-7,10-11,15,24H,8-9H2,1-3H3
InChIKeyOFBJGKJMVMTULR-UHFFFAOYSA-N
XLogP3.66
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 5-[(4-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 3240335) is 5-[(4-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 5-[(4-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 5-[(4-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is Cc1nc2sc(C(c3ccc(Cl)cc3)N3CC(C)OC(C)C3)c(O)n2n1.
What is the InChIKey of 5-[(4-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is OFBJGKJMVMTULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2S/c1-10-8-22(9-11(2)25-10)15(13-4-6-14(19)7-5-13)16-17(24)23-18(26-16)20-12(3)21-23/h4-7,10-11,15,24H,8-9H2,1-3H3.
What are the key properties of 5-[(4-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
5-[(4-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 392.91 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 3240335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).