[5-[(4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine

C10H10N4O3S — CID 79764786

IUPAC[5-[(4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(COc2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C10H10N4O3S/c11-13-10-12-5-9(18-10)6-17-8-3-1-7(2-4-8)14(15)16/h1-5H,6,11H2,(H,12,13)
InChIKeyBLUGVXVKAYWQHU-UHFFFAOYSA-N
MW266.28 g/mol
LogP1.92
Rot. Bonds5

About [5-[(4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine

[5-[(4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine (PubChem CID 79764786) has the molecular formula C10H10N4O3S and a molecular weight of 266.28 g/mol. Its IUPAC name is [5-[(4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
PubChem CID79764786
Molecular FormulaC10H10N4O3S
Molecular Weight266.28 g/mol
Exact Mass266.05
IUPAC Name[5-[(4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
SMILESNNc1ncc(COc2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C10H10N4O3S/c11-13-10-12-5-9(18-10)6-17-8-3-1-7(2-4-8)14(15)16/h1-5H,6,11H2,(H,12,13)
InChIKeyBLUGVXVKAYWQHU-UHFFFAOYSA-N
XLogP1.92
TPSA103.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[5-[(3-bromo-5-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 103589477
[5-[(2-fluoro-4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765434
[5-[(4-iodophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79763915
[5-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine
CID 79765704
[2-[(4-nitrophenoxy)methyl]-4-pyridinyl]hydrazine
CID 79260394
(2-methyl-1,3-thiazol-5-yl)methyl (4-nitrophenyl) carbonate
CID 18759172
[5-(ethoxymethyl)-1,3-thiazol-2-yl]hydrazine
CID 79765698
5-[(2-chloro-4-nitrophenoxy)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79761294
[5-[(2-nitrophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]hydrazine
CID 79764045
3-[(2-hydrazinyl-1,3-thiazol-5-yl)methoxy]-4-methylbenzonitrile
CID 107660698
5-[(2,6-dibromo-4-nitrophenoxy)methyl]-N-ethyl-1,3-thiazol-2-amine
CID 79761181
[5-(naphthalen-1-yloxymethyl)-1,3-thiazol-2-yl]hydrazine
CID 79764794

Frequently Asked Questions

What is the IUPAC name of [5-[(4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The IUPAC name of [5-[(4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine (CID 79764786) is [5-[(4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[(4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The canonical SMILES for [5-[(4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine is NNc1ncc(COc2ccc([N+](=O)[O-])cc2)s1.
What is the InChIKey of [5-[(4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
The InChIKey is BLUGVXVKAYWQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S/c11-13-10-12-5-9(18-10)6-17-8-3-1-7(2-4-8)14(15)16/h1-5H,6,11H2,(H,12,13).
What are the key properties of [5-[(4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine?
[5-[(4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine has a molecular weight of 266.28 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]hydrazine is sourced from PubChem (CID 79764786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).