N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide

C18H13FN4OS — CID 108728270

IUPACN-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2nc3scc(-c4ccc(F)cc4)n3n2)c1
InChIInChI=1S/C18H13FN4OS/c1-11-3-2-4-13(9-11)16(24)20-17-21-18-23(22-17)15(10-25-18)12-5-7-14(19)8-6-12/h2-10H,1H3,(H,20,22,24)
InChIKeyOCPLTKNQIQMFII-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.16
Rot. Bonds3

About N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide

N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide (PubChem CID 108728270) has the molecular formula C18H13FN4OS and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide
PubChem CID108728270
Molecular FormulaC18H13FN4OS
Molecular Weight352.39 g/mol
Exact Mass352.08
IUPAC NameN-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2nc3scc(-c4ccc(F)cc4)n3n2)c1
InChIInChI=1S/C18H13FN4OS/c1-11-3-2-4-13(9-11)16(24)20-17-21-18-23(22-17)15(10-25-18)12-5-7-14(19)8-6-12/h2-10H,1H3,(H,20,22,24)
InChIKeyOCPLTKNQIQMFII-UHFFFAOYSA-N
XLogP4.16
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide?
The IUPAC name of N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide (CID 108728270) is N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2nc3scc(-c4ccc(F)cc4)n3n2)c1.
What is the InChIKey of N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide?
The InChIKey is OCPLTKNQIQMFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4OS/c1-11-3-2-4-13(9-11)16(24)20-17-21-18-23(22-17)15(10-25-18)12-5-7-14(19)8-6-12/h2-10H,1H3,(H,20,22,24).
What are the key properties of N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide?
N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide has a molecular weight of 352.39 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-methylbenzamide is sourced from PubChem (CID 108728270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).