6-(3-fluoro-4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine

C11H9FN4OS — CID 82303651

IUPAC6-(3-fluoro-4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
SMILESCOc1ccc(-c2csc3nc(N)nn23)cc1F
InChIInChI=1S/C11H9FN4OS/c1-17-9-3-2-6(4-7(9)12)8-5-18-11-14-10(13)15-16(8)11/h2-5H,1H3,(H2,13,15)
InChIKeyWSGCDNGUJRXQDQ-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.19
Rot. Bonds2

About 6-(3-fluoro-4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine

6-(3-fluoro-4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (PubChem CID 82303651) has the molecular formula C11H9FN4OS and a molecular weight of 264.29 g/mol. Its IUPAC name is 6-(3-fluoro-4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.

Molecular Properties

Compound Name6-(3-fluoro-4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
PubChem CID82303651
Molecular FormulaC11H9FN4OS
Molecular Weight264.29 g/mol
Exact Mass264.05
IUPAC Name6-(3-fluoro-4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
SMILESCOc1ccc(-c2csc3nc(N)nn23)cc1F
InChIInChI=1S/C11H9FN4OS/c1-17-9-3-2-6(4-7(9)12)8-5-18-11-14-10(13)15-16(8)11/h2-5H,1H3,(H2,13,15)
InChIKeyWSGCDNGUJRXQDQ-UHFFFAOYSA-N
XLogP2.19
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-fluoro-4-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82556948
6-(5-ethyl-2-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 95477006
5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 57445392
5-chloro-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-methoxybenzamide
CID 108752239
N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3,4-dimethoxybenzamide
CID 108752185
6-(2,5-dimethylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 39101233
6-(3-fluoro-4-methoxyphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82556617
3-(3-fluoro-4-methoxyphenyl)-5-methoxy-6-methylpyridin-2-amine
CID 157017577
4-(3-fluoro-4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole
CID 31263109
5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole
CID 116869104
2-(3-fluoro-4-methoxyphenyl)-5,6-dimethylpyrimidin-4-amine
CID 65101012
8-methoxy-5-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 11185905

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The IUPAC name of 6-(3-fluoro-4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (CID 82303651) is 6-(3-fluoro-4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.
What is the SMILES notation for 6-(3-fluoro-4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The canonical SMILES for 6-(3-fluoro-4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is COc1ccc(-c2csc3nc(N)nn23)cc1F.
What is the InChIKey of 6-(3-fluoro-4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The InChIKey is WSGCDNGUJRXQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4OS/c1-17-9-3-2-6(4-7(9)12)8-5-18-11-14-10(13)15-16(8)11/h2-5H,1H3,(H2,13,15).
What are the key properties of 6-(3-fluoro-4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
6-(3-fluoro-4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine has a molecular weight of 264.29 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is sourced from PubChem (CID 82303651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).