2-[2-[4-(6-methoxy-1,3-benzothiazole-2-carbonyl)piperidin-1-yl]ethoxy]acetic acid

C18H22N2O5S — CID 18930338

IUPAC2-[2-[4-(6-methoxy-1,3-benzothiazole-2-carbonyl)piperidin-1-yl]ethoxy]acetic acid
SMILESCOc1ccc2nc(C(=O)C3CCN(CCOCC(=O)O)CC3)sc2c1
InChIInChI=1S/C18H22N2O5S/c1-24-13-2-3-14-15(10-13)26-18(19-14)17(23)12-4-6-20(7-5-12)8-9-25-11-16(21)22/h2-3,10,12H,4-9,11H2,1H3,(H,21,22)
InChIKeyFVGZRTHCSTXBIT-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.30
Rot. Bonds8

About 2-[2-[4-(6-methoxy-1,3-benzothiazole-2-carbonyl)piperidin-1-yl]ethoxy]acetic acid

2-[2-[4-(6-methoxy-1,3-benzothiazole-2-carbonyl)piperidin-1-yl]ethoxy]acetic acid (PubChem CID 18930338) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-[2-[4-(6-methoxy-1,3-benzothiazole-2-carbonyl)piperidin-1-yl]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[4-(6-methoxy-1,3-benzothiazole-2-carbonyl)piperidin-1-yl]ethoxy]acetic acid
PubChem CID18930338
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name2-[2-[4-(6-methoxy-1,3-benzothiazole-2-carbonyl)piperidin-1-yl]ethoxy]acetic acid
SMILESCOc1ccc2nc(C(=O)C3CCN(CCOCC(=O)O)CC3)sc2c1
InChIInChI=1S/C18H22N2O5S/c1-24-13-2-3-14-15(10-13)26-18(19-14)17(23)12-4-6-20(7-5-12)8-9-25-11-16(21)22/h2-3,10,12H,4-9,11H2,1H3,(H,21,22)
InChIKeyFVGZRTHCSTXBIT-UHFFFAOYSA-N
XLogP2.30
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-1,3-benzothiazole-2-carboxamide
CID 539282
1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-2-carboxylic acid
CID 56724809
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-[2-[4-[1-(2-ethoxyethyl)benzimidazole-2-carbonyl]piperidin-1-yl]ethoxy]acetic acid
CID 131718829
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 863482
sodium 6-methoxy-1,3-benzothiazole-2-carboxylate
CID 23680135
5-methoxy-1,3-benzothiazole-2-carboxylic acid
CID 45077357
1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120834481
(3S)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxylic acid
CID 94216624
azepan-1-yl-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
CID 15995116
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 739502

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(6-methoxy-1,3-benzothiazole-2-carbonyl)piperidin-1-yl]ethoxy]acetic acid?
The IUPAC name of 2-[2-[4-(6-methoxy-1,3-benzothiazole-2-carbonyl)piperidin-1-yl]ethoxy]acetic acid (CID 18930338) is 2-[2-[4-(6-methoxy-1,3-benzothiazole-2-carbonyl)piperidin-1-yl]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[4-(6-methoxy-1,3-benzothiazole-2-carbonyl)piperidin-1-yl]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[4-(6-methoxy-1,3-benzothiazole-2-carbonyl)piperidin-1-yl]ethoxy]acetic acid is COc1ccc2nc(C(=O)C3CCN(CCOCC(=O)O)CC3)sc2c1.
What is the InChIKey of 2-[2-[4-(6-methoxy-1,3-benzothiazole-2-carbonyl)piperidin-1-yl]ethoxy]acetic acid?
The InChIKey is FVGZRTHCSTXBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-24-13-2-3-14-15(10-13)26-18(19-14)17(23)12-4-6-20(7-5-12)8-9-25-11-16(21)22/h2-3,10,12H,4-9,11H2,1H3,(H,21,22).
What are the key properties of 2-[2-[4-(6-methoxy-1,3-benzothiazole-2-carbonyl)piperidin-1-yl]ethoxy]acetic acid?
2-[2-[4-(6-methoxy-1,3-benzothiazole-2-carbonyl)piperidin-1-yl]ethoxy]acetic acid has a molecular weight of 378.45 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(6-methoxy-1,3-benzothiazole-2-carbonyl)piperidin-1-yl]ethoxy]acetic acid is sourced from PubChem (CID 18930338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).