2-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]pyridine-4-carboxylic acid

C17H14N4O2S — CID 168619499

IUPAC2-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]pyridine-4-carboxylic acid
SMILESCc1csc(NN=Cc2ccc(-c3cc(C(=O)O)ccn3)cc2)n1
InChIInChI=1S/C17H14N4O2S/c1-11-10-24-17(20-11)21-19-9-12-2-4-13(5-3-12)15-8-14(16(22)23)6-7-18-15/h2-10H,1H3,(H,20,21)(H,22,23)
InChIKeyFZGUXSHJNJPRMX-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.66
Rot. Bonds5

About 2-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]pyridine-4-carboxylic acid

2-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]pyridine-4-carboxylic acid (PubChem CID 168619499) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]pyridine-4-carboxylic acid
PubChem CID168619499
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC Name2-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]pyridine-4-carboxylic acid
SMILESCc1csc(NN=Cc2ccc(-c3cc(C(=O)O)ccn3)cc2)n1
InChIInChI=1S/C17H14N4O2S/c1-11-10-24-17(20-11)21-19-9-12-2-4-13(5-3-12)15-8-14(16(22)23)6-7-18-15/h2-10H,1H3,(H,20,21)(H,22,23)
InChIKeyFZGUXSHJNJPRMX-UHFFFAOYSA-N
XLogP3.66
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.66
H-Bond Donors ≤ 52
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

3-[3-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]benzoic acid
CID 168577848
4-[(Z)-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid
CID 110534753
4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine;hydrochloride
CID 54602728
4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 4642843
2-hydroxy-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzamide
CID 168619127
4-methyl-N-[(4-methylsulfonylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 168600655
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid
CID 168625512
[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 168618466
2-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]-N-pyridin-2-ylacetamide
CID 168618323
N-[4-[2-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]benzamide
CID 6229470
4-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168616897
N-[(E)-(4-ethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 5348565

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]pyridine-4-carboxylic acid (CID 168619499) is 2-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]pyridine-4-carboxylic acid is Cc1csc(NN=Cc2ccc(-c3cc(C(=O)O)ccn3)cc2)n1.
What is the InChIKey of 2-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]pyridine-4-carboxylic acid?
The InChIKey is FZGUXSHJNJPRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-11-10-24-17(20-11)21-19-9-12-2-4-13(5-3-12)15-8-14(16(22)23)6-7-18-15/h2-10H,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]pyridine-4-carboxylic acid?
2-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]pyridine-4-carboxylic acid has a molecular weight of 338.39 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 168619499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).