5-(5-hydrazinyl-4-methyl-1,3-thiazol-2-yl)-3H-1,3-benzoxazol-2-one

C11H10N4O2S — CID 116887829

IUPAC5-(5-hydrazinyl-4-methyl-1,3-thiazol-2-yl)-3H-1,3-benzoxazol-2-one
SMILESCc1nc(-c2ccc3oc(=O)[nH]c3c2)sc1NN
InChIInChI=1S/C11H10N4O2S/c1-5-9(15-12)18-10(13-5)6-2-3-8-7(4-6)14-11(16)17-8/h2-4,15H,12H2,1H3,(H,14,16)
InChIKeyPJOQIWZKHARUCZ-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.84
Rot. Bonds2

About 5-(5-hydrazinyl-4-methyl-1,3-thiazol-2-yl)-3H-1,3-benzoxazol-2-one

5-(5-hydrazinyl-4-methyl-1,3-thiazol-2-yl)-3H-1,3-benzoxazol-2-one (PubChem CID 116887829) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is 5-(5-hydrazinyl-4-methyl-1,3-thiazol-2-yl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-(5-hydrazinyl-4-methyl-1,3-thiazol-2-yl)-3H-1,3-benzoxazol-2-one
PubChem CID116887829
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Name5-(5-hydrazinyl-4-methyl-1,3-thiazol-2-yl)-3H-1,3-benzoxazol-2-one
SMILESCc1nc(-c2ccc3oc(=O)[nH]c3c2)sc1NN
InChIInChI=1S/C11H10N4O2S/c1-5-9(15-12)18-10(13-5)6-2-3-8-7(4-6)14-11(16)17-8/h2-4,15H,12H2,1H3,(H,14,16)
InChIKeyPJOQIWZKHARUCZ-UHFFFAOYSA-N
XLogP1.84
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]hydrazine
CID 116887834
5-methyl-4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazole-2-carbaldehyde
CID 116867302
5-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-3H-1,3-benzoxazol-2-one
CID 98033764
[4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]hydrazine
CID 116887764
5-[3-(methylamino)phenyl]-3H-1,3-benzoxazol-2-one
CID 116962404
5-pyridin-4-yl-3H-1,3-benzoxazol-2-one
CID 12851329
5-(2-bromo-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one
CID 116968071
5-(2,5-dimethylpyrazol-3-yl)-3H-1,3-benzoxazol-2-one
CID 116856803
N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 39072446
5-(2,5-dimethylphenyl)-3H-1,3-benzoxazol-2-one
CID 82084268
5-[6-[4-methyl-2-(pyrimidin-2-yloxymethyl)-1,3-thiazol-5-yl]-2-pyridinyl]-3H-1,3-benzoxazol-2-one
CID 162757619
2-methyl-6-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrimidine-4-carbonitrile
CID 116857937

Frequently Asked Questions

What is the IUPAC name of 5-(5-hydrazinyl-4-methyl-1,3-thiazol-2-yl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-(5-hydrazinyl-4-methyl-1,3-thiazol-2-yl)-3H-1,3-benzoxazol-2-one (CID 116887829) is 5-(5-hydrazinyl-4-methyl-1,3-thiazol-2-yl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-(5-hydrazinyl-4-methyl-1,3-thiazol-2-yl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-(5-hydrazinyl-4-methyl-1,3-thiazol-2-yl)-3H-1,3-benzoxazol-2-one is Cc1nc(-c2ccc3oc(=O)[nH]c3c2)sc1NN.
What is the InChIKey of 5-(5-hydrazinyl-4-methyl-1,3-thiazol-2-yl)-3H-1,3-benzoxazol-2-one?
The InChIKey is PJOQIWZKHARUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c1-5-9(15-12)18-10(13-5)6-2-3-8-7(4-6)14-11(16)17-8/h2-4,15H,12H2,1H3,(H,14,16).
What are the key properties of 5-(5-hydrazinyl-4-methyl-1,3-thiazol-2-yl)-3H-1,3-benzoxazol-2-one?
5-(5-hydrazinyl-4-methyl-1,3-thiazol-2-yl)-3H-1,3-benzoxazol-2-one has a molecular weight of 262.29 g/mol, XLogP of 1.84, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-hydrazinyl-4-methyl-1,3-thiazol-2-yl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 116887829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).