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

C17H17FN4OS — CID 108752199

IUPACN-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1nc2scc(-c3ccc(F)cc3)n2n1)C1CCCCC1
InChIInChI=1S/C17H17FN4OS/c18-13-8-6-11(7-9-13)14-10-24-17-20-16(21-22(14)17)19-15(23)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,19,21,23)
InChIKeyRXSNWPPMDOUNPL-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.12
Rot. Bonds3

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

N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclohexanecarboxamide (PubChem CID 108752199) has the molecular formula C17H17FN4OS and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclohexanecarboxamide
PubChem CID108752199
Molecular FormulaC17H17FN4OS
Molecular Weight344.42 g/mol
Exact Mass344.11
IUPAC NameN-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1nc2scc(-c3ccc(F)cc3)n2n1)C1CCCCC1
InChIInChI=1S/C17H17FN4OS/c18-13-8-6-11(7-9-13)14-10-24-17-20-16(21-22(14)17)19-15(23)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,19,21,23)
InChIKeyRXSNWPPMDOUNPL-UHFFFAOYSA-N
XLogP4.12
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide
CID 108728321
2-chloroethyl N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]carbamate
CID 108728333
ethyl 4-[4-[[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 108752272
N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]naphthalene-1-carboxamide
CID 108752306
N'-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-N-(4-fluorophenyl)butanediamide
CID 108752985
3-bromo-N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108752211
2-[(1,3-dioxoisoindol-2-yl)methyl]-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)cyclohexane-1-carboxamide
CID 108727927
1-(4-methylphenyl)-N-[6-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 108728056
N-[6-(2,5-dichlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclopropanecarboxamide
CID 108742357
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]-4-phenoxybutanamide
CID 108752294
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

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]cyclohexanecarboxamide?
The IUPAC name of N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclohexanecarboxamide (CID 108752199) is N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclohexanecarboxamide is O=C(Nc1nc2scc(-c3ccc(F)cc3)n2n1)C1CCCCC1.
What is the InChIKey of N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclohexanecarboxamide?
The InChIKey is RXSNWPPMDOUNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4OS/c18-13-8-6-11(7-9-13)14-10-24-17-20-16(21-22(14)17)19-15(23)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,19,21,23).
What are the key properties of N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclohexanecarboxamide?
N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclohexanecarboxamide has a molecular weight of 344.42 g/mol, XLogP of 4.12, 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]cyclohexanecarboxamide is sourced from PubChem (CID 108752199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).