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

C16H17FN4O2S — CID 3237227

IUPAC5-[(3-fluorophenyl)-morpholin-4-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1nc2sc(C(c3cccc(F)c3)N3CCOCC3)c(O)n2n1
InChIInChI=1S/C16H17FN4O2S/c1-10-18-16-21(19-10)15(22)14(24-16)13(20-5-7-23-8-6-20)11-3-2-4-12(17)9-11/h2-4,9,13,22H,5-8H2,1H3
InChIKeyVROTYVZQCVRDAO-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.37
Rot. Bonds3

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

5-[(3-fluorophenyl)-morpholin-4-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 3237227) has the molecular formula C16H17FN4O2S and a molecular weight of 348.40 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)-morpholin-4-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name5-[(3-fluorophenyl)-morpholin-4-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID3237227
Molecular FormulaC16H17FN4O2S
Molecular Weight348.40 g/mol
Exact Mass348.11
IUPAC Name5-[(3-fluorophenyl)-morpholin-4-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1nc2sc(C(c3cccc(F)c3)N3CCOCC3)c(O)n2n1
InChIInChI=1S/C16H17FN4O2S/c1-10-18-16-21(19-10)15(22)14(24-16)13(20-5-7-23-8-6-20)11-3-2-4-12(17)9-11/h2-4,9,13,22H,5-8H2,1H3
InChIKeyVROTYVZQCVRDAO-UHFFFAOYSA-N
XLogP2.37
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)-morpholin-4-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 5-[(3-fluorophenyl)-morpholin-4-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 3237227) is 5-[(3-fluorophenyl)-morpholin-4-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 5-[(3-fluorophenyl)-morpholin-4-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 5-[(3-fluorophenyl)-morpholin-4-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is Cc1nc2sc(C(c3cccc(F)c3)N3CCOCC3)c(O)n2n1.
What is the InChIKey of 5-[(3-fluorophenyl)-morpholin-4-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is VROTYVZQCVRDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2S/c1-10-18-16-21(19-10)15(22)14(24-16)13(20-5-7-23-8-6-20)11-3-2-4-12(17)9-11/h2-4,9,13,22H,5-8H2,1H3.
What are the key properties of 5-[(3-fluorophenyl)-morpholin-4-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
5-[(3-fluorophenyl)-morpholin-4-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 348.40 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)-morpholin-4-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 3237227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).