2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-methoxybenzoic acid

C12H12N4O3S — CID 168626449

IUPAC2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-methoxybenzoic acid
SMILESCOc1ccc(C=NNc2nc(N)cs2)c(C(=O)O)c1
InChIInChI=1S/C12H12N4O3S/c1-19-8-3-2-7(9(4-8)11(17)18)5-14-16-12-15-10(13)6-20-12/h2-6H,13H2,1H3,(H,15,16)(H,17,18)
InChIKeyOPBUESNMIXIDPO-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.88
Rot. Bonds5

About 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-methoxybenzoic acid

2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-methoxybenzoic acid (PubChem CID 168626449) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-methoxybenzoic acid
PubChem CID168626449
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-methoxybenzoic acid
SMILESCOc1ccc(C=NNc2nc(N)cs2)c(C(=O)O)c1
InChIInChI=1S/C12H12N4O3S/c1-19-8-3-2-7(9(4-8)11(17)18)5-14-16-12-15-10(13)6-20-12/h2-6H,13H2,1H3,(H,15,16)(H,17,18)
InChIKeyOPBUESNMIXIDPO-UHFFFAOYSA-N
XLogP1.88
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid
CID 168617724
2-N-[(5-methoxy-2-prop-2-ynoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626917
2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-methoxy-6-nitrophenol
CID 168626377
methyl 2-[2-[(2Z)-2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 110536795
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid
CID 168625512
4-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]-2-fluorobenzoic acid
CID 168626774
[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 168627267
6-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxy-3,4-dimethylphenol
CID 168626439
methyl 3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-methylbenzoate
CID 168627986
2-[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(4-methoxyphenyl)acetamide
CID 168626539
4-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-nitrophenoxy]butanoic acid
CID 168626304
methyl 2-[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-2-phenylacetate
CID 168628086

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-methoxybenzoic acid?
The IUPAC name of 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-methoxybenzoic acid (CID 168626449) is 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-methoxybenzoic acid.
What is the SMILES notation for 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-methoxybenzoic acid?
The canonical SMILES for 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-methoxybenzoic acid is COc1ccc(C=NNc2nc(N)cs2)c(C(=O)O)c1.
What is the InChIKey of 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-methoxybenzoic acid?
The InChIKey is OPBUESNMIXIDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c1-19-8-3-2-7(9(4-8)11(17)18)5-14-16-12-15-10(13)6-20-12/h2-6H,13H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-methoxybenzoic acid?
2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-methoxybenzoic acid has a molecular weight of 292.32 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-methoxybenzoic acid is sourced from PubChem (CID 168626449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).