4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]piperazine-1-carboxylic acid

C18H18N4O3S — CID 123937349

IUPAC4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]piperazine-1-carboxylic acid
SMILESCOc1ccc2nc(-c3ccc(N4CCN(C(=O)O)CC4)nc3)sc2c1
InChIInChI=1S/C18H18N4O3S/c1-25-13-3-4-14-15(10-13)26-17(20-14)12-2-5-16(19-11-12)21-6-8-22(9-7-21)18(23)24/h2-5,10-11H,6-9H2,1H3,(H,23,24)
InChIKeyPWQWLNFLAOHCHE-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.17
Rot. Bonds3

About 4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]piperazine-1-carboxylic acid

4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]piperazine-1-carboxylic acid (PubChem CID 123937349) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]piperazine-1-carboxylic acid
PubChem CID123937349
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]piperazine-1-carboxylic acid
SMILESCOc1ccc2nc(-c3ccc(N4CCN(C(=O)O)CC4)nc3)sc2c1
InChIInChI=1S/C18H18N4O3S/c1-25-13-3-4-14-15(10-13)26-17(20-14)12-2-5-16(19-11-12)21-6-8-22(9-7-21)18(23)24/h2-5,10-11H,6-9H2,1H3,(H,23,24)
InChIKeyPWQWLNFLAOHCHE-UHFFFAOYSA-N
XLogP3.17
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl] acetate
CID 67276495
5-(5-methoxy-1,3-benzothiazol-2-yl)pyridine-2-carboxylic acid
CID 134434727
ethyl 2-(6-methoxy-3-pyridinyl)-1,3-benzothiazole-6-carboxylate;ethyl 2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboxylate;ethyl 2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole-6-carboxylate;6-methoxy-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole;6-methoxy-2-(6-piperazin-1-yl-3-pyridinyl)-1,3-benzothiazole;2-(6-methoxy-3-pyridinyl)-1,3-benzothiazole-6-carboxylic acid;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole-6-carboxamide;2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-ol
CID 158410308
ethyl N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]carbamate
CID 24803563
5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine
CID 24804069
2-fluoro-N-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazol-6-yl]acetamide
CID 174577285
(4-methoxyphenyl)-[4-[5-(4-methyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone
CID 53172774
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 46845966
[[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]-[tris(sulfanyl)methyl]amino]methanetrithiol
CID 143516895
2-(4-hexylpiperazin-1-yl)-1-[4-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-benzothiazol-6-yl]piperazin-1-yl]ethanone
CID 177148864
4-(5-phenyl-2-pyridinyl)piperazine-1-carboxylic acid
CID 68644218
5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine
CID 24804067

Frequently Asked Questions

What is the IUPAC name of 4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]piperazine-1-carboxylic acid (CID 123937349) is 4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]piperazine-1-carboxylic acid is COc1ccc2nc(-c3ccc(N4CCN(C(=O)O)CC4)nc3)sc2c1.
What is the InChIKey of 4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]piperazine-1-carboxylic acid?
The InChIKey is PWQWLNFLAOHCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-25-13-3-4-14-15(10-13)26-17(20-14)12-2-5-16(19-11-12)21-6-8-22(9-7-21)18(23)24/h2-5,10-11H,6-9H2,1H3,(H,23,24).
What are the key properties of 4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]piperazine-1-carboxylic acid?
4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]piperazine-1-carboxylic acid has a molecular weight of 370.43 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 123937349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).