2-[[1-methyl-3-(piperidin-1-ylmethyl)indol-2-yl]methoxy]-1,3-thiazole

C19H23N3OS — CID 20662394

IUPAC2-[[1-methyl-3-(piperidin-1-ylmethyl)indol-2-yl]methoxy]-1,3-thiazole
SMILESCn1c(COc2nccs2)c(CN2CCCCC2)c2ccccc21
InChIInChI=1S/C19H23N3OS/c1-21-17-8-4-3-7-15(17)16(13-22-10-5-2-6-11-22)18(21)14-23-19-20-9-12-24-19/h3-4,7-9,12H,2,5-6,10-11,13-14H2,1H3
InChIKeyFKNJLDWLJBMGDF-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.20
Rot. Bonds5

About 2-[[1-methyl-3-(piperidin-1-ylmethyl)indol-2-yl]methoxy]-1,3-thiazole

2-[[1-methyl-3-(piperidin-1-ylmethyl)indol-2-yl]methoxy]-1,3-thiazole (PubChem CID 20662394) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 2-[[1-methyl-3-(piperidin-1-ylmethyl)indol-2-yl]methoxy]-1,3-thiazole.

Molecular Properties

Compound Name2-[[1-methyl-3-(piperidin-1-ylmethyl)indol-2-yl]methoxy]-1,3-thiazole
PubChem CID20662394
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name2-[[1-methyl-3-(piperidin-1-ylmethyl)indol-2-yl]methoxy]-1,3-thiazole
SMILESCn1c(COc2nccs2)c(CN2CCCCC2)c2ccccc21
InChIInChI=1S/C19H23N3OS/c1-21-17-8-4-3-7-15(17)16(13-22-10-5-2-6-11-22)18(21)14-23-19-20-9-12-24-19/h3-4,7-9,12H,2,5-6,10-11,13-14H2,1H3
InChIKeyFKNJLDWLJBMGDF-UHFFFAOYSA-N
XLogP4.20
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-(piperidin-1-ylmethyl)-2-(pyrazin-2-ylmethyl)indole
CID 21196164
2-[(2,4-dichlorophenoxy)methyl]-1-methyl-3-(piperidin-1-ylmethyl)indole
CID 10692519
2-[(4-chlorophenyl)methoxymethyl]-1-methyl-3-(piperidin-1-ylmethyl)indole;hydrochloride
CID 21195948
2-[[1-methyl-3-(piperidin-1-ylmethyl)indol-2-yl]methyl]quinoline
CID 21196250
2-(pyrrolidin-1-ylmethoxy)-1,3-thiazole
CID 139682098
2-[(2,4-dichlorophenoxy)methyl]-1-methyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]indole
CID 21196214
2-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazole
CID 151399077
2-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864109
N,N-dimethyl-1-[[1-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)indol-3-yl]methyl]piperidin-4-amine
CID 21195947
1-[(2-ethoxynaphthalen-1-yl)methyl]piperidine
CID 141150961
N-[(1,3-dimethylindol-2-yl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 107235763
[2-phenyl-3-(piperidin-1-ylmethyl)indol-1-yl]methanol
CID 102581039

Frequently Asked Questions

What is the IUPAC name of 2-[[1-methyl-3-(piperidin-1-ylmethyl)indol-2-yl]methoxy]-1,3-thiazole?
The IUPAC name of 2-[[1-methyl-3-(piperidin-1-ylmethyl)indol-2-yl]methoxy]-1,3-thiazole (CID 20662394) is 2-[[1-methyl-3-(piperidin-1-ylmethyl)indol-2-yl]methoxy]-1,3-thiazole.
What is the SMILES notation for 2-[[1-methyl-3-(piperidin-1-ylmethyl)indol-2-yl]methoxy]-1,3-thiazole?
The canonical SMILES for 2-[[1-methyl-3-(piperidin-1-ylmethyl)indol-2-yl]methoxy]-1,3-thiazole is Cn1c(COc2nccs2)c(CN2CCCCC2)c2ccccc21.
What is the InChIKey of 2-[[1-methyl-3-(piperidin-1-ylmethyl)indol-2-yl]methoxy]-1,3-thiazole?
The InChIKey is FKNJLDWLJBMGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-21-17-8-4-3-7-15(17)16(13-22-10-5-2-6-11-22)18(21)14-23-19-20-9-12-24-19/h3-4,7-9,12H,2,5-6,10-11,13-14H2,1H3.
What are the key properties of 2-[[1-methyl-3-(piperidin-1-ylmethyl)indol-2-yl]methoxy]-1,3-thiazole?
2-[[1-methyl-3-(piperidin-1-ylmethyl)indol-2-yl]methoxy]-1,3-thiazole has a molecular weight of 341.48 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-methyl-3-(piperidin-1-ylmethyl)indol-2-yl]methoxy]-1,3-thiazole is sourced from PubChem (CID 20662394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).