2-hydroxy-1-[2-(2-methoxy-4-pyridinyl)-1,3-benzothiazol-6-yl]ethanone

C15H12N2O3S — CID 153243627

IUPAC2-hydroxy-1-[2-(2-methoxy-4-pyridinyl)-1,3-benzothiazol-6-yl]ethanone
SMILESCOc1cc(-c2nc3ccc(C(=O)CO)cc3s2)ccn1
InChIInChI=1S/C15H12N2O3S/c1-20-14-7-10(4-5-16-14)15-17-11-3-2-9(12(19)8-18)6-13(11)21-15/h2-7,18H,8H2,1H3
InChIKeyWRYAIFDWLFYNLU-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.54
Rot. Bonds4

About 2-hydroxy-1-[2-(2-methoxy-4-pyridinyl)-1,3-benzothiazol-6-yl]ethanone

2-hydroxy-1-[2-(2-methoxy-4-pyridinyl)-1,3-benzothiazol-6-yl]ethanone (PubChem CID 153243627) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-hydroxy-1-[2-(2-methoxy-4-pyridinyl)-1,3-benzothiazol-6-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[2-(2-methoxy-4-pyridinyl)-1,3-benzothiazol-6-yl]ethanone
PubChem CID153243627
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name2-hydroxy-1-[2-(2-methoxy-4-pyridinyl)-1,3-benzothiazol-6-yl]ethanone
SMILESCOc1cc(-c2nc3ccc(C(=O)CO)cc3s2)ccn1
InChIInChI=1S/C15H12N2O3S/c1-20-14-7-10(4-5-16-14)15-17-11-3-2-9(12(19)8-18)6-13(11)21-15/h2-7,18H,8H2,1H3
InChIKeyWRYAIFDWLFYNLU-UHFFFAOYSA-N
XLogP2.54
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-pyridin-4-yl-1,3-benzothiazole-6-carboxylate
CID 95909727
2-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470389
2-(5-methyl-3-pyridinyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470209
2-(3-chloro-4-methylphenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470328
2-(3-aminophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-benzothiazole-6-carboxamide
CID 117093251
1-(3-chloro-4-methoxyphenyl)-2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]ethanone
CID 110827578
ethyl 2-(3-bromophenyl)-1,3-benzothiazole-6-carboxylate
CID 95930252
2-(2-pyridin-4-yl-1,3-benzothiazol-6-yl)acetic acid
CID 39105403
2-(4-methoxy-1,3-thiazol-2-yl)-1,3-benzothiazol-6-ol
CID 136716732
2-(3,4-difluorophenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470320
2-[2-(4-methylphenyl)-1,3-benzothiazol-6-yl]acetic acid
CID 39105357
N-(2-methoxy-4-pyridinyl)-2-pyrrolidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 57412024

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[2-(2-methoxy-4-pyridinyl)-1,3-benzothiazol-6-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[2-(2-methoxy-4-pyridinyl)-1,3-benzothiazol-6-yl]ethanone (CID 153243627) is 2-hydroxy-1-[2-(2-methoxy-4-pyridinyl)-1,3-benzothiazol-6-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[2-(2-methoxy-4-pyridinyl)-1,3-benzothiazol-6-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[2-(2-methoxy-4-pyridinyl)-1,3-benzothiazol-6-yl]ethanone is COc1cc(-c2nc3ccc(C(=O)CO)cc3s2)ccn1.
What is the InChIKey of 2-hydroxy-1-[2-(2-methoxy-4-pyridinyl)-1,3-benzothiazol-6-yl]ethanone?
The InChIKey is WRYAIFDWLFYNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-20-14-7-10(4-5-16-14)15-17-11-3-2-9(12(19)8-18)6-13(11)21-15/h2-7,18H,8H2,1H3.
What are the key properties of 2-hydroxy-1-[2-(2-methoxy-4-pyridinyl)-1,3-benzothiazol-6-yl]ethanone?
2-hydroxy-1-[2-(2-methoxy-4-pyridinyl)-1,3-benzothiazol-6-yl]ethanone has a molecular weight of 300.34 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[2-(2-methoxy-4-pyridinyl)-1,3-benzothiazol-6-yl]ethanone is sourced from PubChem (CID 153243627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).