6-(2-hydrazinyl-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one

C11H10N4O2S — CID 116967996

IUPAC6-(2-hydrazinyl-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(-c3csc(NN)n3)ccc21
InChIInChI=1S/C11H10N4O2S/c1-15-8-3-2-6(4-9(8)17-11(15)16)7-5-18-10(13-7)14-12/h2-5H,12H2,1H3,(H,13,14)
InChIKeyMIHWJVKBFUIREE-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.54
Rot. Bonds2

About 6-(2-hydrazinyl-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one

6-(2-hydrazinyl-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one (PubChem CID 116967996) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is 6-(2-hydrazinyl-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(2-hydrazinyl-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one
PubChem CID116967996
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Name6-(2-hydrazinyl-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(-c3csc(NN)n3)ccc21
InChIInChI=1S/C11H10N4O2S/c1-15-8-3-2-6(4-9(8)17-11(15)16)7-5-18-10(13-7)14-12/h2-5H,12H2,1H3,(H,13,14)
InChIKeyMIHWJVKBFUIREE-UHFFFAOYSA-N
XLogP1.54
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

6-(2-amino-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one
CID 28913193
6-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one
CID 154843667
3-methyl-6-[2-(3-methylanilino)-1,3-thiazol-4-yl]-1,3-benzoxazol-2-one
CID 47092547
6-[2-(aminomethyl)-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one
CID 82090470
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 112813687
[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazine
CID 7174047
3-methyl-6-[4-(methylamino)-1,3-thiazol-2-yl]-1,3-benzoxazol-2-one
CID 116864462
6-(2,6-dimethylpyrimidin-4-yl)-3-methyl-1,3-benzoxazol-2-one
CID 116896986
[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazine
CID 7174071
N-[[4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methyl]morpholine-4-carboxamide
CID 110351049
4-(2-hydrazinyl-1,3-thiazol-4-yl)benzene-1,2-diol
CID 839872
4-(2-hydrazinyl-1,3-thiazol-4-yl)-2-methylphenol
CID 7172164

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydrazinyl-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-(2-hydrazinyl-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one (CID 116967996) is 6-(2-hydrazinyl-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(2-hydrazinyl-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(2-hydrazinyl-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2cc(-c3csc(NN)n3)ccc21.
What is the InChIKey of 6-(2-hydrazinyl-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is MIHWJVKBFUIREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c1-15-8-3-2-6(4-9(8)17-11(15)16)7-5-18-10(13-7)14-12/h2-5H,12H2,1H3,(H,13,14).
What are the key properties of 6-(2-hydrazinyl-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one?
6-(2-hydrazinyl-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 262.29 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydrazinyl-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 116967996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).