2-hydroxy-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzamide

C12H12N4O2S — CID 168619127

IUPAC2-hydroxy-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzamide
SMILESCc1csc(NN=Cc2ccc(O)c(C(N)=O)c2)n1
InChIInChI=1S/C12H12N4O2S/c1-7-6-19-12(15-7)16-14-5-8-2-3-10(17)9(4-8)11(13)18/h2-6,17H,1H3,(H2,13,18)(H,15,16)
InChIKeyFLOLPZYYARJTHX-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.70
Rot. Bonds4

About 2-hydroxy-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzamide

2-hydroxy-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzamide (PubChem CID 168619127) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-hydroxy-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzamide
PubChem CID168619127
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Name2-hydroxy-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzamide
SMILESCc1csc(NN=Cc2ccc(O)c(C(N)=O)c2)n1
InChIInChI=1S/C12H12N4O2S/c1-7-6-19-12(15-7)16-14-5-8-2-3-10(17)9(4-8)11(13)18/h2-6,17H,1H3,(H2,13,18)(H,15,16)
InChIKeyFLOLPZYYARJTHX-UHFFFAOYSA-N
XLogP1.70
TPSA100.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 4642843
2-bromo-4-[(Z)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 136822257
4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-(trifluoromethoxy)phenol
CID 168619251
[2-methoxy-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl] acetate
CID 168616854
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylideneamino)-4-methyl-1,3-thiazol-2-amine
CID 168618421
ethyl 4-[2-methoxy-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]butanoate
CID 168618726
4-methyl-N-[(4-methylsulfonylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 168600655
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-fluorophenol
CID 168625668
4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine;hydrochloride
CID 54602728
2-[N-(2-acetyloxyethyl)-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]anilino]ethyl acetate
CID 168619107
4-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-bromophenol
CID 168625614
4-methyl-N-[(2-methylindazol-6-yl)methylideneamino]-1,3-thiazol-2-amine
CID 168619047

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzamide?
The IUPAC name of 2-hydroxy-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzamide (CID 168619127) is 2-hydroxy-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzamide.
What is the SMILES notation for 2-hydroxy-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzamide?
The canonical SMILES for 2-hydroxy-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzamide is Cc1csc(NN=Cc2ccc(O)c(C(N)=O)c2)n1.
What is the InChIKey of 2-hydroxy-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzamide?
The InChIKey is FLOLPZYYARJTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c1-7-6-19-12(15-7)16-14-5-8-2-3-10(17)9(4-8)11(13)18/h2-6,17H,1H3,(H2,13,18)(H,15,16).
What are the key properties of 2-hydroxy-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzamide?
2-hydroxy-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzamide has a molecular weight of 276.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzamide is sourced from PubChem (CID 168619127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).