2-[(2Z)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]benzoic acid

C14H12N4O2S — CID 6013637

IUPAC2-[(2Z)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]benzoic acid
SMILESCc1nc2sccn2c1/C=N\Nc1ccccc1C(=O)O
InChIInChI=1S/C14H12N4O2S/c1-9-12(18-6-7-21-14(18)16-9)8-15-17-11-5-3-2-4-10(11)13(19)20/h2-8,17H,1H3,(H,19,20)/b15-8-
InChIKeyWZQVLCNTXJZILW-NVNXTCNLSA-N
MW300.34 g/mol
LogP2.85
Rot. Bonds4

About 2-[(2Z)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]benzoic acid

2-[(2Z)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]benzoic acid (PubChem CID 6013637) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-[(2Z)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name2-[(2Z)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]benzoic acid
PubChem CID6013637
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name2-[(2Z)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]benzoic acid
SMILESCc1nc2sccn2c1/C=N\Nc1ccccc1C(=O)O
InChIInChI=1S/C14H12N4O2S/c1-9-12(18-6-7-21-14(18)16-9)8-15-17-11-5-3-2-4-10(11)13(19)20/h2-8,17H,1H3,(H,19,20)/b15-8-
InChIKeyWZQVLCNTXJZILW-NVNXTCNLSA-N
XLogP2.85
TPSA78.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_acid_A(19)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]benzoic acid?
The IUPAC name of 2-[(2Z)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]benzoic acid (CID 6013637) is 2-[(2Z)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 2-[(2Z)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 2-[(2Z)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]benzoic acid is Cc1nc2sccn2c1/C=N\Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[(2Z)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]benzoic acid?
The InChIKey is WZQVLCNTXJZILW-NVNXTCNLSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-9-12(18-6-7-21-14(18)16-9)8-15-17-11-5-3-2-4-10(11)13(19)20/h2-8,17H,1H3,(H,19,20)/b15-8-.
What are the key properties of 2-[(2Z)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]benzoic acid?
2-[(2Z)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]benzoic acid has a molecular weight of 300.34 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 6013637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).