2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methylphenol

C11H12N4OS — CID 168625735

IUPAC2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methylphenol
SMILESCc1cccc(C=NNc2nc(N)cs2)c1O
InChIInChI=1S/C11H12N4OS/c1-7-3-2-4-8(10(7)16)5-13-15-11-14-9(12)6-17-11/h2-6,16H,12H2,1H3,(H,14,15)
InChIKeyJEBKFFXWWUTTJU-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.19
Rot. Bonds3

About 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methylphenol

2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methylphenol (PubChem CID 168625735) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methylphenol.

Molecular Properties

Compound Name2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methylphenol
PubChem CID168625735
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methylphenol
SMILESCc1cccc(C=NNc2nc(N)cs2)c1O
InChIInChI=1S/C11H12N4OS/c1-7-3-2-4-8(10(7)16)5-13-15-11-14-9(12)6-17-11/h2-6,16H,12H2,1H3,(H,14,15)
InChIKeyJEBKFFXWWUTTJU-UHFFFAOYSA-N
XLogP2.19
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-6-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 137099417
2-N-(naphthalen-1-ylmethylideneamino)-1,3-thiazole-2,4-diamine
CID 168625528
2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methyl-4-nitrophenol
CID 168626376
6-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2,4-dibromo-3-methylphenol
CID 168626422
6-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-methoxy-3,4-dimethylphenol
CID 168626439
2-N-[(5-fluoronaphthalen-1-yl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628122
2-N-[(2,3,4,5,6-pentamethylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626305
2-N-[[2-(4-methylphenyl)sulfonylphenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627757
2-N-[(2,4-difluoro-3-methylphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625881
N-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]methanesulfonamide
CID 168627401
ethyl 2-[2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]acetate
CID 168627585
3-[3-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]phenol
CID 168626387

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methylphenol?
The IUPAC name of 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methylphenol (CID 168625735) is 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methylphenol.
What is the SMILES notation for 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methylphenol?
The canonical SMILES for 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methylphenol is Cc1cccc(C=NNc2nc(N)cs2)c1O.
What is the InChIKey of 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methylphenol?
The InChIKey is JEBKFFXWWUTTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-7-3-2-4-8(10(7)16)5-13-15-11-14-9(12)6-17-11/h2-6,16H,12H2,1H3,(H,14,15).
What are the key properties of 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methylphenol?
2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methylphenol has a molecular weight of 248.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-amino-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-methylphenol is sourced from PubChem (CID 168625735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).