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

C11H10N4O2S — CID 168625512

IUPAC4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid
SMILESNc1csc(NN=Cc2ccc(C(=O)O)cc2)n1
InChIInChI=1S/C11H10N4O2S/c12-9-6-18-11(14-9)15-13-5-7-1-3-8(4-2-7)10(16)17/h1-6H,12H2,(H,14,15)(H,16,17)
InChIKeyCNFFEQWDAQWKRZ-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.87
Rot. Bonds4

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

4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid (PubChem CID 168625512) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid
PubChem CID168625512
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Name4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid
SMILESNc1csc(NN=Cc2ccc(C(=O)O)cc2)n1
InChIInChI=1S/C11H10N4O2S/c12-9-6-18-11(14-9)15-13-5-7-1-3-8(4-2-7)10(16)17/h1-6H,12H2,(H,14,15)(H,16,17)
InChIKeyCNFFEQWDAQWKRZ-UHFFFAOYSA-N
XLogP1.87
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-N-methylbenzamide
CID 168626559
4-[(Z)-[[4-(2-methoxy-2-oxoethyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid
CID 110537667
2-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625820
4-[(Z)-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid
CID 110534753
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-fluorophenol
CID 168625668
5-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 168625822
methyl 2-[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-2-phenylacetate
CID 168628086
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-bromophenol
CID 168625614
[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 168627267
methyl 3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-5-methylbenzoate
CID 168627986
4-[(E)-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid
CID 110337561
2-[4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-chlorophenoxy]acetamide
CID 168627035

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid (CID 168625512) is 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid is Nc1csc(NN=Cc2ccc(C(=O)O)cc2)n1.
What is the InChIKey of 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid?
The InChIKey is CNFFEQWDAQWKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c12-9-6-18-11(14-9)15-13-5-7-1-3-8(4-2-7)10(16)17/h1-6H,12H2,(H,14,15)(H,16,17).
What are the key properties of 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid?
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid has a molecular weight of 262.29 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 168625512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).