2-cyclohexyl-5-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazole

C18H18FN5S — CID 175623672

IUPAC2-cyclohexyl-5-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
SMILESCn1cc2cc(-c3cn4nc(C5CCCCC5)nc4s3)cc(F)c2n1
InChIInChI=1S/C18H18FN5S/c1-23-9-13-7-12(8-14(19)16(13)21-23)15-10-24-18(25-15)20-17(22-24)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3
InChIKeyOWPZBKKCWXVKAK-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.53
Rot. Bonds2

About 2-cyclohexyl-5-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazole

2-cyclohexyl-5-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazole (PubChem CID 175623672) has the molecular formula C18H18FN5S and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-cyclohexyl-5-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazole.

Molecular Properties

Compound Name2-cyclohexyl-5-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
PubChem CID175623672
Molecular FormulaC18H18FN5S
Molecular Weight355.44 g/mol
Exact Mass355.13
IUPAC Name2-cyclohexyl-5-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
SMILESCn1cc2cc(-c3cn4nc(C5CCCCC5)nc4s3)cc(F)c2n1
InChIInChI=1S/C18H18FN5S/c1-23-9-13-7-12(8-14(19)16(13)21-23)15-10-24-18(25-15)20-17(22-24)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3
InChIKeyOWPZBKKCWXVKAK-UHFFFAOYSA-N
XLogP4.53
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-di(cyclooctyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
CID 166922648
6-(azocan-5-yl)-2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3]thiazole
CID 178050596
cyclohexane;7-fluoro-5-(8-fluoroimidazo[1,2-a]pyridin-6-yl)-2-methylindazole;methane
CID 170593484
5-(7-fluoro-2-methylindazol-5-yl)-2-[(3S)-pyrrolidin-3-yl]thieno[2,3-c]pyrazole;hydrochloride
CID 169221314
2-(2,7-dimethylindazol-5-yl)-5-methyl-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
CID 178050706
ethane;7-fluoro-2,5-dimethylindazole;2,5,7-trimethylindazole
CID 156888629
2-[7-(difluoromethyl)-2-methylindazol-5-yl]-6-piperidin-4-ylimidazo[2,1-b][1,3]thiazole
CID 178050953
8-(1-ethylpiperidin-4-yl)-6-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline
CID 174159695
2-cyclohexylimidazo[2,1-b][1,3,4]thiadiazol-6-amine
CID 82473071
2-(3,6-dihydro-2H-pyran-4-yl)-5-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-c]pyrazole
CID 162433078
7-(7-fluoro-2-methylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 156888571
7-fluoro-5-(1H-imidazol-2-yl)-2-methylindazole
CID 175904167

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The IUPAC name of 2-cyclohexyl-5-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazole (CID 175623672) is 2-cyclohexyl-5-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazole.
What is the SMILES notation for 2-cyclohexyl-5-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The canonical SMILES for 2-cyclohexyl-5-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazole is Cn1cc2cc(-c3cn4nc(C5CCCCC5)nc4s3)cc(F)c2n1.
What is the InChIKey of 2-cyclohexyl-5-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
The InChIKey is OWPZBKKCWXVKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5S/c1-23-9-13-7-12(8-14(19)16(13)21-23)15-10-24-18(25-15)20-17(22-24)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3.
What are the key properties of 2-cyclohexyl-5-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazole?
2-cyclohexyl-5-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazole has a molecular weight of 355.44 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-(7-fluoro-2-methylindazol-5-yl)-[1,3]thiazolo[3,2-b][1,2,4]triazole is sourced from PubChem (CID 175623672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).