6-methyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,3-benzothiazole

C19H21N3OS — CID 70745111

IUPAC6-methyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,3-benzothiazole
SMILESCc1ccc2nc(N3CCCC(OCc4cccnc4)C3)sc2c1
InChIInChI=1S/C19H21N3OS/c1-14-6-7-17-18(10-14)24-19(21-17)22-9-3-5-16(12-22)23-13-15-4-2-8-20-11-15/h2,4,6-8,10-11,16H,3,5,9,12-13H2,1H3
InChIKeyQBBMQEVCRCBVAR-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.19
Rot. Bonds4

About 6-methyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,3-benzothiazole

6-methyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,3-benzothiazole (PubChem CID 70745111) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 6-methyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name6-methyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,3-benzothiazole
PubChem CID70745111
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name6-methyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,3-benzothiazole
SMILESCc1ccc2nc(N3CCCC(OCc4cccnc4)C3)sc2c1
InChIInChI=1S/C19H21N3OS/c1-14-6-7-17-18(10-14)24-19(21-17)22-9-3-5-16(12-22)23-13-15-4-2-8-20-11-15/h2,4,6-8,10-11,16H,3,5,9,12-13H2,1H3
InChIKeyQBBMQEVCRCBVAR-UHFFFAOYSA-N
XLogP4.19
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-6-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-2-amine
CID 39817678
[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 90611653
N,N,5-trimethyl-2-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyrimidin-4-amine
CID 95128247
ethyl 4-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 90611667
5-(methylsulfanylmethyl)-2-[(3R)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine
CID 96574780
5-methyl-3-[[3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-1H-indole
CID 56711543
[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 90611663
5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]-2,1,3-benzothiadiazole
CID 95714362
1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-ol
CID 154580774
N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide
CID 171335662
(4-cyclohexylpiperazin-1-yl)-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 90611834
5-(1-benzofuran-2-yl)-3-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,2,4-triazine
CID 42291886

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,3-benzothiazole?
The IUPAC name of 6-methyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,3-benzothiazole (CID 70745111) is 6-methyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,3-benzothiazole.
What is the SMILES notation for 6-methyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,3-benzothiazole?
The canonical SMILES for 6-methyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,3-benzothiazole is Cc1ccc2nc(N3CCCC(OCc4cccnc4)C3)sc2c1.
What is the InChIKey of 6-methyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,3-benzothiazole?
The InChIKey is QBBMQEVCRCBVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-14-6-7-17-18(10-14)24-19(21-17)22-9-3-5-16(12-22)23-13-15-4-2-8-20-11-15/h2,4,6-8,10-11,16H,3,5,9,12-13H2,1H3.
What are the key properties of 6-methyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,3-benzothiazole?
6-methyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,3-benzothiazole has a molecular weight of 339.46 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,3-benzothiazole is sourced from PubChem (CID 70745111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).