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

C22H19N3OS — CID 135720820

IUPAC4-[C-methyl-N-(2-methylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)carbonimidoyl]phenol
SMILESC/N=c1\scc(-c2cccc3ccccc23)n1N=C(C)c1ccc(O)cc1
InChIInChI=1S/C22H19N3OS/c1-15(16-10-12-18(26)13-11-16)24-25-21(14-27-22(25)23-2)20-9-5-7-17-6-3-4-8-19(17)20/h3-14,26H,1-2H3/b23-22-,24-15?
InChIKeyCWROZAKJBWXQCA-GBTGDERRSA-N
MW373.48 g/mol
LogP4.88
Rot. Bonds3

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

4-[C-methyl-N-(2-methylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)carbonimidoyl]phenol (PubChem CID 135720820) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-[C-methyl-N-(2-methylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)carbonimidoyl]phenol.

Molecular Properties

Compound Name4-[C-methyl-N-(2-methylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)carbonimidoyl]phenol
PubChem CID135720820
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC Name4-[C-methyl-N-(2-methylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)carbonimidoyl]phenol
SMILESC/N=c1\scc(-c2cccc3ccccc23)n1N=C(C)c1ccc(O)cc1
InChIInChI=1S/C22H19N3OS/c1-15(16-10-12-18(26)13-11-16)24-25-21(14-27-22(25)23-2)20-9-5-7-17-6-3-4-8-19(17)20/h3-14,26H,1-2H3/b23-22-,24-15?
InChIKeyCWROZAKJBWXQCA-GBTGDERRSA-N
XLogP4.88
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.88
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

4-[C-ethyl-N-(2-methylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)carbonimidoyl]phenol
CID 135813568
4-[N-[4-(2-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]phenol
CID 135765759
5-methoxy-2-[C-methyl-N-(2-methylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)carbonimidoyl]phenol
CID 135713319
4-[C-methyl-N-[2-methylimino-4-(4-methylphenyl)-1,3-thiazol-3-yl]carbonimidoyl]phenol
CID 135681328
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-naphthalen-1-yl-N-pyridin-3-yl-3-(1-pyridin-3-ylethylideneamino)-1,3-thiazol-2-imine
CID 23958813
3-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-4-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
CID 4040379
N-methyl-4-naphthalen-1-yl-3-(pyridin-4-ylmethylideneamino)-1,3-thiazol-2-imine
CID 23907138
2-[N-[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]naphthalen-1-ol
CID 135819318
3-[(2-ethylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)iminomethyl]phenol
CID 23738832
N-methyl-4-naphthalen-1-yl-3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23824686

Frequently Asked Questions

What is the IUPAC name of 4-[C-methyl-N-(2-methylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)carbonimidoyl]phenol?
The IUPAC name of 4-[C-methyl-N-(2-methylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)carbonimidoyl]phenol (CID 135720820) is 4-[C-methyl-N-(2-methylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)carbonimidoyl]phenol.
What is the SMILES notation for 4-[C-methyl-N-(2-methylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)carbonimidoyl]phenol?
The canonical SMILES for 4-[C-methyl-N-(2-methylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)carbonimidoyl]phenol is C/N=c1\scc(-c2cccc3ccccc23)n1N=C(C)c1ccc(O)cc1.
What is the InChIKey of 4-[C-methyl-N-(2-methylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)carbonimidoyl]phenol?
The InChIKey is CWROZAKJBWXQCA-GBTGDERRSA-N. The full InChI is InChI=1S/C22H19N3OS/c1-15(16-10-12-18(26)13-11-16)24-25-21(14-27-22(25)23-2)20-9-5-7-17-6-3-4-8-19(17)20/h3-14,26H,1-2H3/b23-22-,24-15?.
What are the key properties of 4-[C-methyl-N-(2-methylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)carbonimidoyl]phenol?
4-[C-methyl-N-(2-methylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)carbonimidoyl]phenol has a molecular weight of 373.48 g/mol, XLogP of 4.88, 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-naphthalen-1-yl-1,3-thiazol-3-yl)carbonimidoyl]phenol is sourced from PubChem (CID 135720820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).