2-[4-(5-ethylpyrazol-1-yl)phenyl]-1,3-benzothiazol-6-ol

C18H15N3OS — CID 91334935

IUPAC2-[4-(5-ethylpyrazol-1-yl)phenyl]-1,3-benzothiazol-6-ol
SMILESCCc1ccnn1-c1ccc(-c2nc3ccc(O)cc3s2)cc1
InChIInChI=1S/C18H15N3OS/c1-2-13-9-10-19-21(13)14-5-3-12(4-6-14)18-20-16-8-7-15(22)11-17(16)23-18/h3-11,22H,2H2,1H3
InChIKeyPLILFYXUTWZVRX-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.42
Rot. Bonds3

About 2-[4-(5-ethylpyrazol-1-yl)phenyl]-1,3-benzothiazol-6-ol

2-[4-(5-ethylpyrazol-1-yl)phenyl]-1,3-benzothiazol-6-ol (PubChem CID 91334935) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-[4-(5-ethylpyrazol-1-yl)phenyl]-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-[4-(5-ethylpyrazol-1-yl)phenyl]-1,3-benzothiazol-6-ol
PubChem CID91334935
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name2-[4-(5-ethylpyrazol-1-yl)phenyl]-1,3-benzothiazol-6-ol
SMILESCCc1ccnn1-c1ccc(-c2nc3ccc(O)cc3s2)cc1
InChIInChI=1S/C18H15N3OS/c1-2-13-9-10-19-21(13)14-5-3-12(4-6-14)18-20-16-8-7-15(22)11-17(16)23-18/h3-11,22H,2H2,1H3
InChIKeyPLILFYXUTWZVRX-UHFFFAOYSA-N
XLogP4.42
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-1,3-benzothiazol-6-ol
CID 16734166
2-[4-(6-amino-3-pyridinyl)phenyl]-1,3-benzothiazol-6-ol
CID 146253215
2-(4-amino-3-nitrophenyl)-1,3-benzothiazol-6-ol
CID 102106626
2-[[4-(6-hydroxy-1,3-benzothiazol-2-yl)phenyl]methylidene]propanedinitrile
CID 122435518
6-ethyl-2-phenyl-1,3-benzothiazole
CID 54858915
2-(4-ethylphenyl)-1,3-benzothiazole
CID 17307932
2-(2-aminophenyl)-1,3-benzothiazol-6-ol
CID 149215571
N-[(2S)-1-[4-(6-hydroxy-1,3-benzothiazol-2-yl)phenoxy]propan-2-yl]acetamide
CID 67777623
N-[2-chloro-4-(6-hydroxy-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 10567607
2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-ol;2-propoxyethyl methanesulfonate
CID 91334389
2-[3-[fluoro(methyl)boranyl]-4-(methylamino)phenyl]-1,3-benzothiazol-6-ol
CID 143210507
methyl 3-(6-hydroxy-1,3-benzothiazol-2-yl)benzoate
CID 58138527

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-ethylpyrazol-1-yl)phenyl]-1,3-benzothiazol-6-ol?
The IUPAC name of 2-[4-(5-ethylpyrazol-1-yl)phenyl]-1,3-benzothiazol-6-ol (CID 91334935) is 2-[4-(5-ethylpyrazol-1-yl)phenyl]-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-[4-(5-ethylpyrazol-1-yl)phenyl]-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-[4-(5-ethylpyrazol-1-yl)phenyl]-1,3-benzothiazol-6-ol is CCc1ccnn1-c1ccc(-c2nc3ccc(O)cc3s2)cc1.
What is the InChIKey of 2-[4-(5-ethylpyrazol-1-yl)phenyl]-1,3-benzothiazol-6-ol?
The InChIKey is PLILFYXUTWZVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-2-13-9-10-19-21(13)14-5-3-12(4-6-14)18-20-16-8-7-15(22)11-17(16)23-18/h3-11,22H,2H2,1H3.
What are the key properties of 2-[4-(5-ethylpyrazol-1-yl)phenyl]-1,3-benzothiazol-6-ol?
2-[4-(5-ethylpyrazol-1-yl)phenyl]-1,3-benzothiazol-6-ol has a molecular weight of 321.41 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-ethylpyrazol-1-yl)phenyl]-1,3-benzothiazol-6-ol is sourced from PubChem (CID 91334935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).