1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid

C14H16N2O3S — CID 56724809

IUPAC1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid
SMILESCOc1ccc2nc(N3CCCCC3C(=O)O)sc2c1
InChIInChI=1S/C14H16N2O3S/c1-19-9-5-6-10-12(8-9)20-14(15-10)16-7-3-2-4-11(16)13(17)18/h5-6,8,11H,2-4,7H2,1H3,(H,17,18)
InChIKeyWHFKCHRYDJFFSZ-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.75
Rot. Bonds3

About 1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid

1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid (PubChem CID 56724809) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid
PubChem CID56724809
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid
SMILESCOc1ccc2nc(N3CCCCC3C(=O)O)sc2c1
InChIInChI=1S/C14H16N2O3S/c1-19-9-5-6-10-12(8-9)20-14(15-10)16-7-3-2-4-11(16)13(17)18/h5-6,8,11H,2-4,7H2,1H3,(H,17,18)
InChIKeyWHFKCHRYDJFFSZ-UHFFFAOYSA-N
XLogP2.75
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxylic acid
CID 94216624
6-methoxy-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 5205722
azepan-1-yl-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
CID 15995116
1-[4-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 90611568
1-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxylic acid
CID 16783768
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpiperidine-4-carboxamide
CID 71802530
N-methoxy-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90611632
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methoxy-1,3-benzothiazole
CID 23728788
N-(cyclohexylmethyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 90604299
2-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxylic acid
CID 79511094
(2S)-1-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 90114938
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)azetidine-3-carboxamide
CID 90604239

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid (CID 56724809) is 1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid is COc1ccc2nc(N3CCCCC3C(=O)O)sc2c1.
What is the InChIKey of 1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid?
The InChIKey is WHFKCHRYDJFFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-19-9-5-6-10-12(8-9)20-14(15-10)16-7-3-2-4-11(16)13(17)18/h5-6,8,11H,2-4,7H2,1H3,(H,17,18).
What are the key properties of 1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid?
1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 56724809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).