5-[5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pentoxy]-2-methyl-1,3-benzothiazole

C26H30FN3OS — CID 10182471

IUPAC5-[5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pentoxy]-2-methyl-1,3-benzothiazole
SMILESCc1nc2cc(OCCCCCN3CCC(c4c[nH]c5ccc(F)cc45)CC3)ccc2s1
InChIInChI=1S/C26H30FN3OS/c1-18-29-25-16-21(6-8-26(25)32-18)31-14-4-2-3-11-30-12-9-19(10-13-30)23-17-28-24-7-5-20(27)15-22(23)24/h5-8,15-17,19,28H,2-4,9-14H2,1H3
InChIKeyXIFURTRASNYFCM-UHFFFAOYSA-N
MW451.61 g/mol
LogP6.65
Rot. Bonds8

About 5-[5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pentoxy]-2-methyl-1,3-benzothiazole

5-[5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pentoxy]-2-methyl-1,3-benzothiazole (PubChem CID 10182471) has the molecular formula C26H30FN3OS and a molecular weight of 451.61 g/mol. Its IUPAC name is 5-[5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pentoxy]-2-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name5-[5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pentoxy]-2-methyl-1,3-benzothiazole
PubChem CID10182471
Molecular FormulaC26H30FN3OS
Molecular Weight451.61 g/mol
Exact Mass451.21
IUPAC Name5-[5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pentoxy]-2-methyl-1,3-benzothiazole
SMILESCc1nc2cc(OCCCCCN3CCC(c4c[nH]c5ccc(F)cc45)CC3)ccc2s1
InChIInChI=1S/C26H30FN3OS/c1-18-29-25-16-21(6-8-26(25)32-18)31-14-4-2-3-11-30-12-9-19(10-13-30)23-17-28-24-7-5-20(27)15-22(23)24/h5-8,15-17,19,28H,2-4,9-14H2,1H3
InChIKeyXIFURTRASNYFCM-UHFFFAOYSA-N
XLogP6.65
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.61
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pentoxy]-2-methyl-1,3-benzothiazole 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

5-[3-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]propoxy]-2-methyl-1,3-benzothiazole
CID 10180659
5-[4-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butoxy]-2-methyl-1,3-benzothiazole
CID 10137867
3-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-1H-indole-5-carbonitrile
CID 10134202
5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-2-methyl-1,3-benzothiazole
CID 146025612
1-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 155562519
3-(5-fluoro-1H-indol-3-yl)-1-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione
CID 155524228
(2R)-1-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]-1-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol
CID 69425125
5-fluoro-3-[1-[2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole
CID 15837561
3-[1-[3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carbonitrile
CID 10202848
ethyl 5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]oxy]pentanoate
CID 15341740
5-[4-[4-(3,6-dihydro-2H-pyridin-1-yl)-4-(5-methoxy-1H-indol-3-yl)butoxy]butoxy]-2-methyl-1,3-benzothiazole
CID 70152814
1-[3-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]-3-(4-fluorophenyl)urea
CID 22714409

Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pentoxy]-2-methyl-1,3-benzothiazole?
The IUPAC name of 5-[5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pentoxy]-2-methyl-1,3-benzothiazole (CID 10182471) is 5-[5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pentoxy]-2-methyl-1,3-benzothiazole.
What is the SMILES notation for 5-[5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pentoxy]-2-methyl-1,3-benzothiazole?
The canonical SMILES for 5-[5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pentoxy]-2-methyl-1,3-benzothiazole is Cc1nc2cc(OCCCCCN3CCC(c4c[nH]c5ccc(F)cc45)CC3)ccc2s1.
What is the InChIKey of 5-[5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pentoxy]-2-methyl-1,3-benzothiazole?
The InChIKey is XIFURTRASNYFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3OS/c1-18-29-25-16-21(6-8-26(25)32-18)31-14-4-2-3-11-30-12-9-19(10-13-30)23-17-28-24-7-5-20(27)15-22(23)24/h5-8,15-17,19,28H,2-4,9-14H2,1H3.
What are the key properties of 5-[5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pentoxy]-2-methyl-1,3-benzothiazole?
5-[5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pentoxy]-2-methyl-1,3-benzothiazole has a molecular weight of 451.61 g/mol, XLogP of 6.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pentoxy]-2-methyl-1,3-benzothiazole is sourced from PubChem (CID 10182471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).