[5-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-indol-7-yl] hypofluorite

C23H25FN4OS — CID 139649208

IUPAC[5-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-indol-7-yl] hypofluorite
SMILESFOc1cc(CCCCN2CCN(c3nsc4ccccc34)CC2)cc2cc[nH]c12
InChIInChI=1S/C23H25FN4OS/c24-29-20-16-17(15-18-8-9-25-22(18)20)5-3-4-10-27-11-13-28(14-12-27)23-19-6-1-2-7-21(19)30-26-23/h1-2,6-9,15-16,25H,3-5,10-14H2
InChIKeyHKYPDCPHOJCNLL-UHFFFAOYSA-N
MW424.55 g/mol
LogP5.19
Rot. Bonds7

About [5-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-indol-7-yl] hypofluorite

[5-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-indol-7-yl] hypofluorite (PubChem CID 139649208) has the molecular formula C23H25FN4OS and a molecular weight of 424.55 g/mol. Its IUPAC name is [5-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-indol-7-yl] hypofluorite.

Molecular Properties

Compound Name[5-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-indol-7-yl] hypofluorite
PubChem CID139649208
Molecular FormulaC23H25FN4OS
Molecular Weight424.55 g/mol
Exact Mass424.17
IUPAC Name[5-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-indol-7-yl] hypofluorite
SMILESFOc1cc(CCCCN2CCN(c3nsc4ccccc34)CC2)cc2cc[nH]c12
InChIInChI=1S/C23H25FN4OS/c24-29-20-16-17(15-18-8-9-25-22(18)20)5-3-4-10-27-11-13-28(14-12-27)23-19-6-1-2-7-21(19)30-26-23/h1-2,6-9,15-16,25H,3-5,10-14H2
InChIKeyHKYPDCPHOJCNLL-UHFFFAOYSA-N
XLogP5.19
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [5-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-indol-7-yl] hypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one;hydrochloride
CID 13232485
3-[4-[3-(furan-2-yl)propyl]piperazin-1-yl]-1,2-benzothiazole
CID 91840906
3-[4-[3-(4-methyl-1,2,3,4-tetrahydroquinolin-6-yl)propyl]piperazin-1-yl]-1,2-benzothiazole
CID 141087229
2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethanamine
CID 66801585
5-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butanoyl]thiophene-2-carboxylic acid
CID 19372839
3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-1,2-benzothiazole
CID 54670950
3-[4-[2-[(7R)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]ethyl]piperazin-1-yl]-1,2-benzothiazole
CID 18649244
(3aR,4S,7R,7aS)-2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 10599242
ethyl 2-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3-oxoindazole-1-carboxylate
CID 10096660
3-[4-[2-(1,3,3-trimethoxy-2H-indol-5-yl)ethyl]piperazin-1-yl]-1,2-benzothiazole
CID 151854642
3-[4-[4-(3-methyl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-1-yl)butyl]piperazin-1-yl]-1,2-benzothiazole
CID 174338775
1-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-4,4-diethylpiperidine-2,6-dione
CID 13232494

Frequently Asked Questions

What is the IUPAC name of [5-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-indol-7-yl] hypofluorite?
The IUPAC name of [5-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-indol-7-yl] hypofluorite (CID 139649208) is [5-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-indol-7-yl] hypofluorite.
What is the SMILES notation for [5-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-indol-7-yl] hypofluorite?
The canonical SMILES for [5-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-indol-7-yl] hypofluorite is FOc1cc(CCCCN2CCN(c3nsc4ccccc34)CC2)cc2cc[nH]c12.
What is the InChIKey of [5-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-indol-7-yl] hypofluorite?
The InChIKey is HKYPDCPHOJCNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4OS/c24-29-20-16-17(15-18-8-9-25-22(18)20)5-3-4-10-27-11-13-28(14-12-27)23-19-6-1-2-7-21(19)30-26-23/h1-2,6-9,15-16,25H,3-5,10-14H2.
What are the key properties of [5-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-indol-7-yl] hypofluorite?
[5-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-indol-7-yl] hypofluorite has a molecular weight of 424.55 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-indol-7-yl] hypofluorite is sourced from PubChem (CID 139649208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).