1-[(5-benzyl-1,3-thiazol-2-yl)diazenyl]naphthalen-2-ol

C20H15N3OS — CID 137185564

IUPAC1-[(5-benzyl-1,3-thiazol-2-yl)diazenyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/N=N/c1ncc(Cc2ccccc2)s1
InChIInChI=1S/C20H15N3OS/c24-18-11-10-15-8-4-5-9-17(15)19(18)22-23-20-21-13-16(25-20)12-14-6-2-1-3-7-14/h1-11,13,24H,12H2/b23-22+
InChIKeyYPRIUKFEOWDWIY-GHVJWSGMSA-N
MW345.43 g/mol
LogP6.01
Rot. Bonds4

About 1-[(5-benzyl-1,3-thiazol-2-yl)diazenyl]naphthalen-2-ol

1-[(5-benzyl-1,3-thiazol-2-yl)diazenyl]naphthalen-2-ol (PubChem CID 137185564) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is 1-[(5-benzyl-1,3-thiazol-2-yl)diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(5-benzyl-1,3-thiazol-2-yl)diazenyl]naphthalen-2-ol
PubChem CID137185564
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC Name1-[(5-benzyl-1,3-thiazol-2-yl)diazenyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/N=N/c1ncc(Cc2ccccc2)s1
InChIInChI=1S/C20H15N3OS/c24-18-11-10-15-8-4-5-9-17(15)19(18)22-23-20-21-13-16(25-20)12-14-6-2-1-3-7-14/h1-11,13,24H,12H2/b23-22+
InChIKeyYPRIUKFEOWDWIY-GHVJWSGMSA-N
XLogP6.01
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.43
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

ethane;1-phenyldiazenylnaphthalen-2-ol
CID 136657953
1-[(2,3,5,6-tetramethyl-4-phenyldiazenylphenyl)diazenyl]naphthalen-2-ol
CID 135977813
1-phenyldiazenylnaphthalene-2-carbaldehyde;1-phenyldiazenylnaphthalen-2-ol
CID 159712546
1-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]naphthalen-2-ol
CID 2311776
1-[(2-phenoxynaphthalen-1-yl)diazenyl]naphthalen-2-ol
CID 135514019
1-(2H-pyrazolo[3,4-b]pyridin-3-yldiazenyl)naphthalen-2-ol
CID 135697160
5-[(2-hydroxynaphthalen-1-yl)diazenyl]-1H-pyrazole-4-carboxylic acid
CID 3082296
9-benzylpyren-1-ol
CID 177414953
1-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]naphthalen-2-ol
CID 135418326
1-[(3-methoxy-2-pyridinyl)diazenyl]naphthalen-2-ol
CID 135718521
1-(cyclopropyldiazenyl)naphthalen-2-ol
CID 135693137
1-[[5-methyl-2-(2-phenylethoxy)phenyl]diazenyl]naphthalen-2-ol
CID 2843870

Frequently Asked Questions

What is the IUPAC name of 1-[(5-benzyl-1,3-thiazol-2-yl)diazenyl]naphthalen-2-ol?
The IUPAC name of 1-[(5-benzyl-1,3-thiazol-2-yl)diazenyl]naphthalen-2-ol (CID 137185564) is 1-[(5-benzyl-1,3-thiazol-2-yl)diazenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(5-benzyl-1,3-thiazol-2-yl)diazenyl]naphthalen-2-ol?
The canonical SMILES for 1-[(5-benzyl-1,3-thiazol-2-yl)diazenyl]naphthalen-2-ol is Oc1ccc2ccccc2c1/N=N/c1ncc(Cc2ccccc2)s1.
What is the InChIKey of 1-[(5-benzyl-1,3-thiazol-2-yl)diazenyl]naphthalen-2-ol?
The InChIKey is YPRIUKFEOWDWIY-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H15N3OS/c24-18-11-10-15-8-4-5-9-17(15)19(18)22-23-20-21-13-16(25-20)12-14-6-2-1-3-7-14/h1-11,13,24H,12H2/b23-22+.
What are the key properties of 1-[(5-benzyl-1,3-thiazol-2-yl)diazenyl]naphthalen-2-ol?
1-[(5-benzyl-1,3-thiazol-2-yl)diazenyl]naphthalen-2-ol has a molecular weight of 345.43 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-benzyl-1,3-thiazol-2-yl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 137185564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).