2-chloro-N'-hydroxy-4-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide

C11H10ClN3O2S — CID 102724377

IUPAC2-chloro-N'-hydroxy-4-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OCc2cncs2)cc1Cl
InChIInChI=1S/C11H10ClN3O2S/c12-10-3-7(1-2-9(10)11(13)15-16)17-5-8-4-14-6-18-8/h1-4,6,16H,5H2,(H2,13,15)
InChIKeyBRQJRIFJSFZDAR-UHFFFAOYSA-N
MW283.74 g/mol
LogP2.47
Rot. Bonds4

About 2-chloro-N'-hydroxy-4-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide

2-chloro-N'-hydroxy-4-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide (PubChem CID 102724377) has the molecular formula C11H10ClN3O2S and a molecular weight of 283.74 g/mol. Its IUPAC name is 2-chloro-N'-hydroxy-4-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-hydroxy-4-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide
PubChem CID102724377
Molecular FormulaC11H10ClN3O2S
Molecular Weight283.74 g/mol
Exact Mass283.02
IUPAC Name2-chloro-N'-hydroxy-4-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OCc2cncs2)cc1Cl
InChIInChI=1S/C11H10ClN3O2S/c12-10-3-7(1-2-9(10)11(13)15-16)17-5-8-4-14-6-18-8/h1-4,6,16H,5H2,(H2,13,15)
InChIKeyBRQJRIFJSFZDAR-UHFFFAOYSA-N
XLogP2.47
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 102724484
4-[(3-bromothiophen-2-yl)methoxy]-2-chloro-N'-hydroxybenzenecarboximidamide
CID 102724403
2-chloro-N'-hydroxy-4-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 76981512
2-chloro-4-(1,3-thiazol-5-ylmethoxy)benzonitrile
CID 102724111
N'-hydroxy-3-methoxy-5-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide
CID 103567506
2-chloro-N'-hydroxy-4-[(1-methylpyrazol-4-yl)methoxy]benzenecarboximidamide
CID 102724449
2-chloro-4-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77013685
2-chloro-4-[(1-ethylpyrazol-4-yl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 102724414
5-[(6-chloro-3-pyridinyl)oxymethyl]-1,3-thiazole
CID 112645504
2-methyl-4-(1,3-thiazol-5-ylmethoxy)aniline
CID 112640166
2-chloro-4-(difluoromethoxy)-N'-hydroxybenzenecarboximidamide
CID 102724409
3,5-dichloro-4-(1,3-thiazol-5-ylmethoxy)aniline
CID 112640173

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-hydroxy-4-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide?
The IUPAC name of 2-chloro-N'-hydroxy-4-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide (CID 102724377) is 2-chloro-N'-hydroxy-4-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-hydroxy-4-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-hydroxy-4-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide is N/C(=N/O)c1ccc(OCc2cncs2)cc1Cl.
What is the InChIKey of 2-chloro-N'-hydroxy-4-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide?
The InChIKey is BRQJRIFJSFZDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2S/c12-10-3-7(1-2-9(10)11(13)15-16)17-5-8-4-14-6-18-8/h1-4,6,16H,5H2,(H2,13,15).
What are the key properties of 2-chloro-N'-hydroxy-4-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide?
2-chloro-N'-hydroxy-4-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide has a molecular weight of 283.74 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-hydroxy-4-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide is sourced from PubChem (CID 102724377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).