4-[(3-iodophenoxy)methyl]-1,3-thiazole-2-carbohydrazide

C11H10IN3O2S — CID 55213802

IUPAC4-[(3-iodophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(COc2cccc(I)c2)cs1
InChIInChI=1S/C11H10IN3O2S/c12-7-2-1-3-9(4-7)17-5-8-6-18-11(14-8)10(16)15-13/h1-4,6H,5,13H2,(H,15,16)
InChIKeyKUBYSNFDGMWKIX-UHFFFAOYSA-N
MW375.19 g/mol
LogP1.93
Rot. Bonds4

About 4-[(3-iodophenoxy)methyl]-1,3-thiazole-2-carbohydrazide

4-[(3-iodophenoxy)methyl]-1,3-thiazole-2-carbohydrazide (PubChem CID 55213802) has the molecular formula C11H10IN3O2S and a molecular weight of 375.19 g/mol. Its IUPAC name is 4-[(3-iodophenoxy)methyl]-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Name4-[(3-iodophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
PubChem CID55213802
Molecular FormulaC11H10IN3O2S
Molecular Weight375.19 g/mol
Exact Mass374.95
IUPAC Name4-[(3-iodophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
SMILESNNC(=O)c1nc(COc2cccc(I)c2)cs1
InChIInChI=1S/C11H10IN3O2S/c12-7-2-1-3-9(4-7)17-5-8-6-18-11(14-8)10(16)15-13/h1-4,6H,5,13H2,(H,15,16)
InChIKeyKUBYSNFDGMWKIX-UHFFFAOYSA-N
XLogP1.93
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.19
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(3,4-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63575479
4-[(3,5-dimethoxyphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63570853
4-[(4-bromophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 55215150
4-[(2,6-dimethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 55213006
4-[(4-acetyl-3-fluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 107718996
4-[(4-ethylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 63574785
2-[(3-iodophenoxy)methyl]benzohydrazide
CID 63576085
4-[(3-acetamidophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664317
4-[(2-fluoro-5-methylphenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 64854518
4-[(5-bromo-2-fluorophenoxy)methyl]-1,3-thiazole-2-carbohydrazide
CID 114677082
4-(thiophen-2-ylmethoxymethyl)-1,3-thiazole-2-carbohydrazide
CID 63569329
4-[(3-methylsulfonylphenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 43806800

Frequently Asked Questions

What is the IUPAC name of 4-[(3-iodophenoxy)methyl]-1,3-thiazole-2-carbohydrazide?
The IUPAC name of 4-[(3-iodophenoxy)methyl]-1,3-thiazole-2-carbohydrazide (CID 55213802) is 4-[(3-iodophenoxy)methyl]-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for 4-[(3-iodophenoxy)methyl]-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for 4-[(3-iodophenoxy)methyl]-1,3-thiazole-2-carbohydrazide is NNC(=O)c1nc(COc2cccc(I)c2)cs1.
What is the InChIKey of 4-[(3-iodophenoxy)methyl]-1,3-thiazole-2-carbohydrazide?
The InChIKey is KUBYSNFDGMWKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN3O2S/c12-7-2-1-3-9(4-7)17-5-8-6-18-11(14-8)10(16)15-13/h1-4,6H,5,13H2,(H,15,16).
What are the key properties of 4-[(3-iodophenoxy)methyl]-1,3-thiazole-2-carbohydrazide?
4-[(3-iodophenoxy)methyl]-1,3-thiazole-2-carbohydrazide has a molecular weight of 375.19 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-iodophenoxy)methyl]-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 55213802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).