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

C16H16Cl2N4O2S — CID 110381972

IUPAC5-[(2,4-dichlorophenyl)-morpholin-4-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1nc2sc(C(c3ccc(Cl)cc3Cl)N3CCOCC3)c(O)n2n1
InChIInChI=1S/C16H16Cl2N4O2S/c1-9-19-16-22(20-9)15(23)14(25-16)13(21-4-6-24-7-5-21)11-3-2-10(17)8-12(11)18/h2-3,8,13,23H,4-7H2,1H3
InChIKeyBKSNDIRZOBJBHW-UHFFFAOYSA-N
MW399.30 g/mol
LogP3.53
Rot. Bonds3

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

5-[(2,4-dichlorophenyl)-morpholin-4-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 110381972) has the molecular formula C16H16Cl2N4O2S and a molecular weight of 399.30 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenyl)-morpholin-4-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name5-[(2,4-dichlorophenyl)-morpholin-4-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID110381972
Molecular FormulaC16H16Cl2N4O2S
Molecular Weight399.30 g/mol
Exact Mass398.04
IUPAC Name5-[(2,4-dichlorophenyl)-morpholin-4-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1nc2sc(C(c3ccc(Cl)cc3Cl)N3CCOCC3)c(O)n2n1
InChIInChI=1S/C16H16Cl2N4O2S/c1-9-19-16-22(20-9)15(23)14(25-16)13(21-4-6-24-7-5-21)11-3-2-10(17)8-12(11)18/h2-3,8,13,23H,4-7H2,1H3
InChIKeyBKSNDIRZOBJBHW-UHFFFAOYSA-N
XLogP3.53
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.30
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-5-[(R)-morpholin-4-yl(phenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7099251
2-methyl-5-[(3-methylphenyl)-morpholin-4-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 16807712
5-[(S)-(2-chlorophenyl)-(4-phenylpiperazin-1-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 30483383
5-[(2,4-dichlorophenyl)-(4-methylpiperazin-1-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 18576169
5-[(3,4-dichlorophenyl)-pyrrolidin-1-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 16807641
1-[(2-chlorophenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidin-4-one
CID 110382041
2-methyl-5-[(R)-morpholin-4-yl-(3,4,5-trimethoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7105322
5-[(4-ethoxy-3-methoxyphenyl)-morpholin-4-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 16807717
5-[(R)-(2-chlorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7199213
1-[(S)-(2,4-dichlorophenyl)-(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-4-carboxamide
CID 30676506
methyl 1-[(2-chlorophenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-4-carboxylate
CID 16807683
5-[(R)-(2-fluorophenyl)-piperidin-1-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7198963

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenyl)-morpholin-4-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 5-[(2,4-dichlorophenyl)-morpholin-4-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 110381972) is 5-[(2,4-dichlorophenyl)-morpholin-4-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 5-[(2,4-dichlorophenyl)-morpholin-4-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 5-[(2,4-dichlorophenyl)-morpholin-4-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is Cc1nc2sc(C(c3ccc(Cl)cc3Cl)N3CCOCC3)c(O)n2n1.
What is the InChIKey of 5-[(2,4-dichlorophenyl)-morpholin-4-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is BKSNDIRZOBJBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O2S/c1-9-19-16-22(20-9)15(23)14(25-16)13(21-4-6-24-7-5-21)11-3-2-10(17)8-12(11)18/h2-3,8,13,23H,4-7H2,1H3.
What are the key properties of 5-[(2,4-dichlorophenyl)-morpholin-4-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
5-[(2,4-dichlorophenyl)-morpholin-4-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 399.30 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichlorophenyl)-morpholin-4-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 110381972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).