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

C15H11FN6S — CID 108772366

IUPAC6-(4-fluorophenyl)-N-(6-methylpyrimidin-4-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
SMILESCc1cc(Nc2nc3scc(-c4ccc(F)cc4)n3n2)ncn1
InChIInChI=1S/C15H11FN6S/c1-9-6-13(18-8-17-9)19-14-20-15-22(21-14)12(7-23-15)10-2-4-11(16)5-3-10/h2-8H,1H3,(H,17,18,19,21)
InChIKeyDDMBQASUHQDDAT-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.44
Rot. Bonds3

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

6-(4-fluorophenyl)-N-(6-methylpyrimidin-4-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (PubChem CID 108772366) has the molecular formula C15H11FN6S and a molecular weight of 326.36 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-(6-methylpyrimidin-4-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-(6-methylpyrimidin-4-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
PubChem CID108772366
Molecular FormulaC15H11FN6S
Molecular Weight326.36 g/mol
Exact Mass326.07
IUPAC Name6-(4-fluorophenyl)-N-(6-methylpyrimidin-4-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
SMILESCc1cc(Nc2nc3scc(-c4ccc(F)cc4)n3n2)ncn1
InChIInChI=1S/C15H11FN6S/c1-9-6-13(18-8-17-9)19-14-20-15-22(21-14)12(7-23-15)10-2-4-11(16)5-3-10/h2-8H,1H3,(H,17,18,19,21)
InChIKeyDDMBQASUHQDDAT-UHFFFAOYSA-N
XLogP3.44
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-fluorophenyl)-N-[6-(4-fluorophenyl)pyridazin-3-yl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772361
N-[4-[2-[[6-(4-fluorophenyl)pyridazin-3-yl]amino]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]phenyl]acetamide
CID 108772640
N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide
CID 108728321
N-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772231
2-(3,5-dimethylphenoxy)-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108728379
N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4-dimethoxybenzamide
CID 108752185
N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-(4-methylphenoxy)propanamide
CID 108811234
N-(6-chloro-2-ethylpyrimidin-4-yl)-6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772307
3,4,5-triethoxy-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108752208
methyl 3-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]carbamoyl]benzoate
CID 108728393
2-(4-fluorophenyl)-4-methyl-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-1,3-thiazole-5-carboxamide
CID 108810407
N'-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-N-(4-fluorophenyl)butanediamide
CID 108752985

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-(6-methylpyrimidin-4-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The IUPAC name of 6-(4-fluorophenyl)-N-(6-methylpyrimidin-4-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (CID 108772366) is 6-(4-fluorophenyl)-N-(6-methylpyrimidin-4-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-N-(6-methylpyrimidin-4-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The canonical SMILES for 6-(4-fluorophenyl)-N-(6-methylpyrimidin-4-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is Cc1cc(Nc2nc3scc(-c4ccc(F)cc4)n3n2)ncn1.
What is the InChIKey of 6-(4-fluorophenyl)-N-(6-methylpyrimidin-4-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The InChIKey is DDMBQASUHQDDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN6S/c1-9-6-13(18-8-17-9)19-14-20-15-22(21-14)12(7-23-15)10-2-4-11(16)5-3-10/h2-8H,1H3,(H,17,18,19,21).
What are the key properties of 6-(4-fluorophenyl)-N-(6-methylpyrimidin-4-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
6-(4-fluorophenyl)-N-(6-methylpyrimidin-4-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine has a molecular weight of 326.36 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-(6-methylpyrimidin-4-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is sourced from PubChem (CID 108772366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).