2-(2-fluorophenyl)-N-(3-piperidin-1-ylpropyl)-[1,2,4]triazolo[5,1-b][1,3]benzothiazole-6-carboxamide

C23H24FN5OS — CID 164571933

IUPAC2-(2-fluorophenyl)-N-(3-piperidin-1-ylpropyl)-[1,2,4]triazolo[5,1-b][1,3]benzothiazole-6-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1ccc2c(c1)sc1nc(-c3ccccc3F)nn12
InChIInChI=1S/C23H24FN5OS/c24-18-8-3-2-7-17(18)21-26-23-29(27-21)19-10-9-16(15-20(19)31-23)22(30)25-11-6-14-28-12-4-1-5-13-28/h2-3,7-10,15H,1,4-6,11-14H2,(H,25,30)
InChIKeyUNSPQSGWCAQZCW-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.36
Rot. Bonds6

About 2-(2-fluorophenyl)-N-(3-piperidin-1-ylpropyl)-[1,2,4]triazolo[5,1-b][1,3]benzothiazole-6-carboxamide

2-(2-fluorophenyl)-N-(3-piperidin-1-ylpropyl)-[1,2,4]triazolo[5,1-b][1,3]benzothiazole-6-carboxamide (PubChem CID 164571933) has the molecular formula C23H24FN5OS and a molecular weight of 437.54 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-(3-piperidin-1-ylpropyl)-[1,2,4]triazolo[5,1-b][1,3]benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-(3-piperidin-1-ylpropyl)-[1,2,4]triazolo[5,1-b][1,3]benzothiazole-6-carboxamide
PubChem CID164571933
Molecular FormulaC23H24FN5OS
Molecular Weight437.54 g/mol
Exact Mass437.17
IUPAC Name2-(2-fluorophenyl)-N-(3-piperidin-1-ylpropyl)-[1,2,4]triazolo[5,1-b][1,3]benzothiazole-6-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1ccc2c(c1)sc1nc(-c3ccccc3F)nn12
InChIInChI=1S/C23H24FN5OS/c24-18-8-3-2-7-17(18)21-26-23-29(27-21)19-10-9-16(15-20(19)31-23)22(30)25-11-6-14-28-12-4-1-5-13-28/h2-3,7-10,15H,1,4-6,11-14H2,(H,25,30)
InChIKeyUNSPQSGWCAQZCW-UHFFFAOYSA-N
XLogP4.36
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018309
2-(4-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018313
N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018572
N-[6-(piperidin-1-ylcarbonyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 1160385
N-[2-(4-allyl-5-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]thio}-4H-1,2,4-triazol-3-yl)ethyl]-2-fluorobenzamide
CID 2232196
N-{2-[2-(4-Fluorophenyl)-6-methyl-[1,2,4]triazolo[3,2-B][1,3]thiazol-5-YL]ethyl}-2-phenylacetamide
CID 7287108
N-[3-(Dibutylamino)propyl]-2-(piperidin-1-YL)-1,3-benzothiazole-6-carboxamide
CID 16011425
N-{3-[Butyl(methyl)amino]propyl}-2-(piperidin-1-YL)-1,3-benzothiazole-6-carboxamide
CID 16011427
N-(2-Phenylethyl)-2-(piperidin-1-YL)-1,3-benzothiazole-6-carboxamide
CID 16011602
N-[(4-Fluorophenyl)methyl]-2-(piperidin-1-YL)-1,3-benzothiazole-6-carboxamide
CID 16011621
N-{3-[4-(2-Fluorophenyl)piperazin-1-YL]propyl}-2-(piperidin-1-YL)-1,3-benzothiazole-6-carboxamide
CID 16011625
N-benzyl-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carboxamide
CID 16011631

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-(3-piperidin-1-ylpropyl)-[1,2,4]triazolo[5,1-b][1,3]benzothiazole-6-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-N-(3-piperidin-1-ylpropyl)-[1,2,4]triazolo[5,1-b][1,3]benzothiazole-6-carboxamide (CID 164571933) is 2-(2-fluorophenyl)-N-(3-piperidin-1-ylpropyl)-[1,2,4]triazolo[5,1-b][1,3]benzothiazole-6-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-(3-piperidin-1-ylpropyl)-[1,2,4]triazolo[5,1-b][1,3]benzothiazole-6-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-(3-piperidin-1-ylpropyl)-[1,2,4]triazolo[5,1-b][1,3]benzothiazole-6-carboxamide is O=C(NCCCN1CCCCC1)c1ccc2c(c1)sc1nc(-c3ccccc3F)nn12.
What is the InChIKey of 2-(2-fluorophenyl)-N-(3-piperidin-1-ylpropyl)-[1,2,4]triazolo[5,1-b][1,3]benzothiazole-6-carboxamide?
The InChIKey is UNSPQSGWCAQZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5OS/c24-18-8-3-2-7-17(18)21-26-23-29(27-21)19-10-9-16(15-20(19)31-23)22(30)25-11-6-14-28-12-4-1-5-13-28/h2-3,7-10,15H,1,4-6,11-14H2,(H,25,30).
What are the key properties of 2-(2-fluorophenyl)-N-(3-piperidin-1-ylpropyl)-[1,2,4]triazolo[5,1-b][1,3]benzothiazole-6-carboxamide?
2-(2-fluorophenyl)-N-(3-piperidin-1-ylpropyl)-[1,2,4]triazolo[5,1-b][1,3]benzothiazole-6-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-(3-piperidin-1-ylpropyl)-[1,2,4]triazolo[5,1-b][1,3]benzothiazole-6-carboxamide is sourced from PubChem (CID 164571933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).