2-(4-hydroxyanilino)-1,3-thiazole-4-carbaldehyde

C10H8N2O2S — CID 144776560

IUPAC2-(4-hydroxyanilino)-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(Nc2ccc(O)cc2)n1
InChIInChI=1S/C10H8N2O2S/c13-5-8-6-15-10(12-8)11-7-1-3-9(14)4-2-7/h1-6,14H,(H,11,12)
InChIKeyAWTVACTXQDRBSF-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.40
Rot. Bonds3

About 2-(4-hydroxyanilino)-1,3-thiazole-4-carbaldehyde

2-(4-hydroxyanilino)-1,3-thiazole-4-carbaldehyde (PubChem CID 144776560) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-(4-hydroxyanilino)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(4-hydroxyanilino)-1,3-thiazole-4-carbaldehyde
PubChem CID144776560
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name2-(4-hydroxyanilino)-1,3-thiazole-4-carbaldehyde
SMILESO=Cc1csc(Nc2ccc(O)cc2)n1
InChIInChI=1S/C10H8N2O2S/c13-5-8-6-15-10(12-8)11-7-1-3-9(14)4-2-7/h1-6,14H,(H,11,12)
InChIKeyAWTVACTXQDRBSF-UHFFFAOYSA-N
XLogP2.40
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-anilino-1,3-thiazole-4-carbaldehyde
CID 15053570
3-(2-anilino-1,3-thiazol-4-yl)prop-2-enoic acid
CID 173392183
4-[[4-(4-aminophenyl)-1,3-thiazol-2-yl]amino]phenol
CID 118708820
4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenol
CID 2866860
2-[4-(methoxyamino)phenyl]-1,3-thiazole-4-carbaldehyde
CID 176659494
2-[2-(4-chloroanilino)-1,3-thiazol-4-yl]acetaldehyde
CID 123698759
ethyl (E)-3-(2-anilino-1,3-thiazol-4-yl)prop-2-enoate
CID 15053530
4-[[4-(2,5-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 87078168
4-[2-[4-(hydroxymethyl)anilino]-1,3-thiazol-4-yl]benzene-1,3-diol
CID 126613345
4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-N-[(4-hydroxyphenyl)methylideneamino]benzamide
CID 3143378
4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 2214183
1-[2-(4-hydroxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 169101363

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyanilino)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(4-hydroxyanilino)-1,3-thiazole-4-carbaldehyde (CID 144776560) is 2-(4-hydroxyanilino)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(4-hydroxyanilino)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(4-hydroxyanilino)-1,3-thiazole-4-carbaldehyde is O=Cc1csc(Nc2ccc(O)cc2)n1.
What is the InChIKey of 2-(4-hydroxyanilino)-1,3-thiazole-4-carbaldehyde?
The InChIKey is AWTVACTXQDRBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c13-5-8-6-15-10(12-8)11-7-1-3-9(14)4-2-7/h1-6,14H,(H,11,12).
What are the key properties of 2-(4-hydroxyanilino)-1,3-thiazole-4-carbaldehyde?
2-(4-hydroxyanilino)-1,3-thiazole-4-carbaldehyde has a molecular weight of 220.25 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyanilino)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 144776560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).