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

C17H16FN3OS — CID 127247628

IUPAC(5-fluoro-1H-indol-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc2cc(F)ccc2[nH]1)N1CCCC(c2nccs2)C1
InChIInChI=1S/C17H16FN3OS/c18-13-3-4-14-12(8-13)9-15(20-14)17(22)21-6-1-2-11(10-21)16-19-5-7-23-16/h3-5,7-9,11,20H,1-2,6,10H2
InChIKeyPVOTYYTXUXIALA-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.78
Rot. Bonds2

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

(5-fluoro-1H-indol-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 127247628) has the molecular formula C17H16FN3OS and a molecular weight of 329.40 g/mol. Its IUPAC name is (5-fluoro-1H-indol-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-1H-indol-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID127247628
Molecular FormulaC17H16FN3OS
Molecular Weight329.40 g/mol
Exact Mass329.10
IUPAC Name(5-fluoro-1H-indol-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc2cc(F)ccc2[nH]1)N1CCCC(c2nccs2)C1
InChIInChI=1S/C17H16FN3OS/c18-13-3-4-14-12(8-13)9-15(20-14)17(22)21-6-1-2-11(10-21)16-19-5-7-23-16/h3-5,7-9,11,20H,1-2,6,10H2
InChIKeyPVOTYYTXUXIALA-UHFFFAOYSA-N
XLogP3.78
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3R)-1-(5-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124967205
(5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 110104161
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 26315953
(5-fluoro-1H-indol-2-yl)-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 92608930
(5-fluoro-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone
CID 24764568
(3-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 127247570
[3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 155986930
(5-fluoro-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581642
(3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124992269
ethyl 4-[(3R)-1-(5-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
CID 42239803
(5-fluoro-1H-indol-2-yl)-[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 124982715
(4-methylthiophen-2-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125024129

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1H-indol-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-fluoro-1H-indol-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 127247628) is (5-fluoro-1H-indol-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-1H-indol-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-fluoro-1H-indol-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is O=C(c1cc2cc(F)ccc2[nH]1)N1CCCC(c2nccs2)C1.
What is the InChIKey of (5-fluoro-1H-indol-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is PVOTYYTXUXIALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3OS/c18-13-3-4-14-12(8-13)9-15(20-14)17(22)21-6-1-2-11(10-21)16-19-5-7-23-16/h3-5,7-9,11,20H,1-2,6,10H2.
What are the key properties of (5-fluoro-1H-indol-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
(5-fluoro-1H-indol-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 329.40 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1H-indol-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 127247628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).