2-(5-fluoro-2-methyl-1H-indol-3-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone

C19H20FN3OS — CID 86957499

IUPAC2-(5-fluoro-2-methyl-1H-indol-3-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)N1CCCCC1c1nccs1
InChIInChI=1S/C19H20FN3OS/c1-12-14(15-10-13(20)5-6-16(15)22-12)11-18(24)23-8-3-2-4-17(23)19-21-7-9-25-19/h5-7,9-10,17,22H,2-4,8,11H2,1H3
InChIKeyIZPZCJWYVHKKEQ-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.37
Rot. Bonds3

About 2-(5-fluoro-2-methyl-1H-indol-3-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone

2-(5-fluoro-2-methyl-1H-indol-3-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 86957499) has the molecular formula C19H20FN3OS and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-(5-fluoro-2-methyl-1H-indol-3-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-fluoro-2-methyl-1H-indol-3-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID86957499
Molecular FormulaC19H20FN3OS
Molecular Weight357.45 g/mol
Exact Mass357.13
IUPAC Name2-(5-fluoro-2-methyl-1H-indol-3-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)N1CCCCC1c1nccs1
InChIInChI=1S/C19H20FN3OS/c1-12-14(15-10-13(20)5-6-16(15)22-12)11-18(24)23-8-3-2-4-17(23)19-21-7-9-25-19/h5-7,9-10,17,22H,2-4,8,11H2,1H3
InChIKeyIZPZCJWYVHKKEQ-UHFFFAOYSA-N
XLogP4.37
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanone
CID 134005126
2-(4-methylphenyl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95761217
2-(3-fluorophenyl)-1-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 110750388
1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanone
CID 95975011
3-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137086651
2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 91840506
ethyl 1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylate
CID 31896980
2-(3-propan-2-yloxyphenyl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95770097
(1S,8R)-9-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one
CID 154816048
(3R,4R)-1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]-4-hydroxypiperidine-3-carboxylic acid
CID 165417203
2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 72915818

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone (CID 86957499) is 2-(5-fluoro-2-methyl-1H-indol-3-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone is Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCCCC1c1nccs1.
What is the InChIKey of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is IZPZCJWYVHKKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3OS/c1-12-14(15-10-13(20)5-6-16(15)22-12)11-18(24)23-8-3-2-4-17(23)19-21-7-9-25-19/h5-7,9-10,17,22H,2-4,8,11H2,1H3.
What are the key properties of 2-(5-fluoro-2-methyl-1H-indol-3-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
2-(5-fluoro-2-methyl-1H-indol-3-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 357.45 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methyl-1H-indol-3-yl)-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 86957499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).