2-[4-(methoxyamino)phenyl]-1,3-thiazole-4-carbaldehyde

C11H10N2O2S — CID 176659494

IUPAC2-[4-(methoxyamino)phenyl]-1,3-thiazole-4-carbaldehyde
SMILESCONc1ccc(-c2nc(C=O)cs2)cc1
InChIInChI=1S/C11H10N2O2S/c1-15-13-9-4-2-8(3-5-9)11-12-10(6-14)7-16-11/h2-7,13H,1H3
InChIKeyLMDZRTABCGSLJM-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.60
Rot. Bonds4

About 2-[4-(methoxyamino)phenyl]-1,3-thiazole-4-carbaldehyde

2-[4-(methoxyamino)phenyl]-1,3-thiazole-4-carbaldehyde (PubChem CID 176659494) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-[4-(methoxyamino)phenyl]-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-[4-(methoxyamino)phenyl]-1,3-thiazole-4-carbaldehyde
PubChem CID176659494
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name2-[4-(methoxyamino)phenyl]-1,3-thiazole-4-carbaldehyde
SMILESCONc1ccc(-c2nc(C=O)cs2)cc1
InChIInChI=1S/C11H10N2O2S/c1-15-13-9-4-2-8(3-5-9)11-12-10(6-14)7-16-11/h2-7,13H,1H3
InChIKeyLMDZRTABCGSLJM-UHFFFAOYSA-N
XLogP2.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tert-butylphenyl)-1,3-thiazole-4-carbaldehyde
CID 60998486
2-(4-chlorophenyl)-1,3-thiazole-4-carbaldehyde
CID 2115215
2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbaldehyde
CID 82516005
2-(3-methoxyphenyl)-1,3-thiazole-4-carbaldehyde
CID 2117534
2-[1-(methoxymethyl)pyrazol-4-yl]-1,3-thiazole-4-carbaldehyde
CID 155782839
methyl (E)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]prop-2-enoate
CID 17429631
2-(1-ethylpyrazol-4-yl)-1,3-thiazole-4-carbaldehyde
CID 103570317
2-(2-ethyl-4-pyridinyl)-1,3-thiazole-4-carbaldehyde
CID 91664700
2-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carbaldehyde
CID 63092785
2-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carbaldehyde
CID 50990810
2-(4-hydroxyanilino)-1,3-thiazole-4-carbaldehyde
CID 144776560
2-(3-aminophenyl)-1,3-thiazole-4-carbaldehyde
CID 45480208

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxyamino)phenyl]-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-[4-(methoxyamino)phenyl]-1,3-thiazole-4-carbaldehyde (CID 176659494) is 2-[4-(methoxyamino)phenyl]-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-[4-(methoxyamino)phenyl]-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-[4-(methoxyamino)phenyl]-1,3-thiazole-4-carbaldehyde is CONc1ccc(-c2nc(C=O)cs2)cc1.
What is the InChIKey of 2-[4-(methoxyamino)phenyl]-1,3-thiazole-4-carbaldehyde?
The InChIKey is LMDZRTABCGSLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-15-13-9-4-2-8(3-5-9)11-12-10(6-14)7-16-11/h2-7,13H,1H3.
What are the key properties of 2-[4-(methoxyamino)phenyl]-1,3-thiazole-4-carbaldehyde?
2-[4-(methoxyamino)phenyl]-1,3-thiazole-4-carbaldehyde has a molecular weight of 234.28 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxyamino)phenyl]-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 176659494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).