4-[C-methyl-N-[2-methylimino-4-(4-methylphenyl)-1,3-thiazol-3-yl]carbonimidoyl]phenol

C19H19N3OS — CID 135681328

IUPAC4-[C-methyl-N-[2-methylimino-4-(4-methylphenyl)-1,3-thiazol-3-yl]carbonimidoyl]phenol
SMILESC/N=c1\scc(-c2ccc(C)cc2)n1N=C(C)c1ccc(O)cc1
InChIInChI=1S/C19H19N3OS/c1-13-4-6-16(7-5-13)18-12-24-19(20-3)22(18)21-14(2)15-8-10-17(23)11-9-15/h4-12,23H,1-3H3/b20-19-,21-14?
InChIKeyISNJJJIWZFSUEX-XEPIQXTHSA-N
MW337.45 g/mol
LogP4.03
Rot. Bonds3

About 4-[C-methyl-N-[2-methylimino-4-(4-methylphenyl)-1,3-thiazol-3-yl]carbonimidoyl]phenol

4-[C-methyl-N-[2-methylimino-4-(4-methylphenyl)-1,3-thiazol-3-yl]carbonimidoyl]phenol (PubChem CID 135681328) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 4-[C-methyl-N-[2-methylimino-4-(4-methylphenyl)-1,3-thiazol-3-yl]carbonimidoyl]phenol.

Molecular Properties

Compound Name4-[C-methyl-N-[2-methylimino-4-(4-methylphenyl)-1,3-thiazol-3-yl]carbonimidoyl]phenol
PubChem CID135681328
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name4-[C-methyl-N-[2-methylimino-4-(4-methylphenyl)-1,3-thiazol-3-yl]carbonimidoyl]phenol
SMILESC/N=c1\scc(-c2ccc(C)cc2)n1N=C(C)c1ccc(O)cc1
InChIInChI=1S/C19H19N3OS/c1-13-4-6-16(7-5-13)18-12-24-19(20-3)22(18)21-14(2)15-8-10-17(23)11-9-15/h4-12,23H,1-3H3/b20-19-,21-14?
InChIKeyISNJJJIWZFSUEX-XEPIQXTHSA-N
XLogP4.03
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-phenyl-3-(1-phenylethylideneamino)-1,3-thiazol-2-imine
CID 23936914
4-[C-methyl-N-[2-methylimino-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-3-yl]carbonimidoyl]phenol
CID 135713318
4-[N-[4-(2-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]phenol
CID 135765759
4-(2-fluorophenyl)-N-methyl-3-[1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-imine
CID 23962062
4-[C-methyl-N-(2-methylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)carbonimidoyl]phenol
CID 135720820
4-[C-methyl-N-(2-methylimino-4-phenyl-1,3-thiazol-3-yl)carbonimidoyl]benzene-1,3-diol
CID 135856252
4-[N-[2-ethylimino-4-(4-methylphenyl)-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]benzene-1,3-diol
CID 135822977
3-[1-(4-methylphenyl)ethylideneamino]-N-(2-methylprop-2-enyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine
CID 23767388
3-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(4-methylphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
CID 3297229
2-[N-[4-(3,4-dimethylphenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]-5-methoxyphenol
CID 135739978
N-ethyl-3-[1-(3-fluorophenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 23991458
4-[C-ethyl-N-[2-methylimino-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-3-yl]carbonimidoyl]phenol
CID 135840593

Frequently Asked Questions

What is the IUPAC name of 4-[C-methyl-N-[2-methylimino-4-(4-methylphenyl)-1,3-thiazol-3-yl]carbonimidoyl]phenol?
The IUPAC name of 4-[C-methyl-N-[2-methylimino-4-(4-methylphenyl)-1,3-thiazol-3-yl]carbonimidoyl]phenol (CID 135681328) is 4-[C-methyl-N-[2-methylimino-4-(4-methylphenyl)-1,3-thiazol-3-yl]carbonimidoyl]phenol.
What is the SMILES notation for 4-[C-methyl-N-[2-methylimino-4-(4-methylphenyl)-1,3-thiazol-3-yl]carbonimidoyl]phenol?
The canonical SMILES for 4-[C-methyl-N-[2-methylimino-4-(4-methylphenyl)-1,3-thiazol-3-yl]carbonimidoyl]phenol is C/N=c1\scc(-c2ccc(C)cc2)n1N=C(C)c1ccc(O)cc1.
What is the InChIKey of 4-[C-methyl-N-[2-methylimino-4-(4-methylphenyl)-1,3-thiazol-3-yl]carbonimidoyl]phenol?
The InChIKey is ISNJJJIWZFSUEX-XEPIQXTHSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-13-4-6-16(7-5-13)18-12-24-19(20-3)22(18)21-14(2)15-8-10-17(23)11-9-15/h4-12,23H,1-3H3/b20-19-,21-14?.
What are the key properties of 4-[C-methyl-N-[2-methylimino-4-(4-methylphenyl)-1,3-thiazol-3-yl]carbonimidoyl]phenol?
4-[C-methyl-N-[2-methylimino-4-(4-methylphenyl)-1,3-thiazol-3-yl]carbonimidoyl]phenol has a molecular weight of 337.45 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[C-methyl-N-[2-methylimino-4-(4-methylphenyl)-1,3-thiazol-3-yl]carbonimidoyl]phenol is sourced from PubChem (CID 135681328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).