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

C24H26FN3OS — CID 10180659

IUPAC5-[3-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]propoxy]-2-methyl-1,3-benzothiazole
SMILESCc1nc2cc(OCCCN3CCC(c4c[nH]c5ccc(F)cc45)CC3)ccc2s1
InChIInChI=1S/C24H26FN3OS/c1-16-27-23-14-19(4-6-24(23)30-16)29-12-2-9-28-10-7-17(8-11-28)21-15-26-22-5-3-18(25)13-20(21)22/h3-6,13-15,17,26H,2,7-12H2,1H3
InChIKeyAMFMGTCVZJUNNC-UHFFFAOYSA-N
MW423.56 g/mol
LogP5.87
Rot. Bonds6

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

5-[3-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]propoxy]-2-methyl-1,3-benzothiazole (PubChem CID 10180659) has the molecular formula C24H26FN3OS and a molecular weight of 423.56 g/mol. Its IUPAC name is 5-[3-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]propoxy]-2-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name5-[3-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]propoxy]-2-methyl-1,3-benzothiazole
PubChem CID10180659
Molecular FormulaC24H26FN3OS
Molecular Weight423.56 g/mol
Exact Mass423.18
IUPAC Name5-[3-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]propoxy]-2-methyl-1,3-benzothiazole
SMILESCc1nc2cc(OCCCN3CCC(c4c[nH]c5ccc(F)cc45)CC3)ccc2s1
InChIInChI=1S/C24H26FN3OS/c1-16-27-23-14-19(4-6-24(23)30-16)29-12-2-9-28-10-7-17(8-11-28)21-15-26-22-5-3-18(25)13-20(21)22/h3-6,13-15,17,26H,2,7-12H2,1H3
InChIKeyAMFMGTCVZJUNNC-UHFFFAOYSA-N
XLogP5.87
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pentoxy]-2-methyl-1,3-benzothiazole
CID 10182471
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
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
(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
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
3-[1-(3-phenoxypropyl)piperidin-4-yl]-1H-indole-5-carbonitrile
CID 10109123
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
5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-2-methyl-1,3-benzothiazole
CID 146025612
3-[1-(cyclooctylmethyl)piperidin-4-yl]-5-fluoro-1H-indole
CID 16665917

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]propoxy]-2-methyl-1,3-benzothiazole?
The IUPAC name of 5-[3-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]propoxy]-2-methyl-1,3-benzothiazole (CID 10180659) is 5-[3-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]propoxy]-2-methyl-1,3-benzothiazole.
What is the SMILES notation for 5-[3-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]propoxy]-2-methyl-1,3-benzothiazole?
The canonical SMILES for 5-[3-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]propoxy]-2-methyl-1,3-benzothiazole is Cc1nc2cc(OCCCN3CCC(c4c[nH]c5ccc(F)cc45)CC3)ccc2s1.
What is the InChIKey of 5-[3-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]propoxy]-2-methyl-1,3-benzothiazole?
The InChIKey is AMFMGTCVZJUNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3OS/c1-16-27-23-14-19(4-6-24(23)30-16)29-12-2-9-28-10-7-17(8-11-28)21-15-26-22-5-3-18(25)13-20(21)22/h3-6,13-15,17,26H,2,7-12H2,1H3.
What are the key properties of 5-[3-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]propoxy]-2-methyl-1,3-benzothiazole?
5-[3-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]propoxy]-2-methyl-1,3-benzothiazole has a molecular weight of 423.56 g/mol, XLogP of 5.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]propoxy]-2-methyl-1,3-benzothiazole is sourced from PubChem (CID 10180659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).