[5-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine

C11H10N4OS2 — CID 79765066

IUPAC[5-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(CSc2nc3ccccc3o2)s1
InChIInChI=1S/C11H10N4OS2/c12-15-10-13-5-7(18-10)6-17-11-14-8-3-1-2-4-9(8)16-11/h1-5H,6,12H2,(H,13,15)
InChIKeyZMTYJAXQRNMEQG-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.86
Rot. Bonds4

About [5-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine

[5-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine (PubChem CID 79765066) has the molecular formula C11H10N4OS2 and a molecular weight of 278.36 g/mol. Its IUPAC name is [5-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine
PubChem CID79765066
Molecular FormulaC11H10N4OS2
Molecular Weight278.36 g/mol
Exact Mass278.03
IUPAC Name[5-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(CSc2nc3ccccc3o2)s1
InChIInChI=1S/C11H10N4OS2/c12-15-10-13-5-7(18-10)6-17-11-14-8-3-1-2-4-9(8)16-11/h1-5H,6,12H2,(H,13,15)
InChIKeyZMTYJAXQRNMEQG-UHFFFAOYSA-N
XLogP2.86
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.86
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

4-(1,3-benzoxazol-2-ylsulfanylmethyl)pyridin-2-amine
CID 62467489
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 86979352
5-(1,3-benzoxazol-2-ylsulfanylmethyl)quinolin-8-ol
CID 4621437
[5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine
CID 79765188
2-[2-(1,3-benzoxazol-2-ylamino)-1,3-thiazol-5-yl]-N-methylacetamide
CID 169415124
3-(1,3-benzoxazol-2-ylsulfanyl)propanal
CID 54119103
4-(1,3-benzoxazol-2-ylsulfanylmethyl)pyridine-2-carbonitrile
CID 63883856
[5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-yl]hydrazine
CID 79765455
3-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-fluoroaniline
CID 107349771
[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 114218151
5-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-methylfuran-3-carbohydrazide
CID 63582663
1-(1,3-benzoxazol-2-ylsulfanyl)-N,N-dimethylmethanamine
CID 119085238

Frequently Asked Questions

What is the IUPAC name of [5-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine?
The IUPAC name of [5-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine (CID 79765066) is [5-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine.
What is the SMILES notation for [5-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine?
The canonical SMILES for [5-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine is NNc1ncc(CSc2nc3ccccc3o2)s1.
What is the InChIKey of [5-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine?
The InChIKey is ZMTYJAXQRNMEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS2/c12-15-10-13-5-7(18-10)6-17-11-14-8-3-1-2-4-9(8)16-11/h1-5H,6,12H2,(H,13,15).
What are the key properties of [5-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine?
[5-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine has a molecular weight of 278.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,3-benzoxazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]hydrazine is sourced from PubChem (CID 79765066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).