2-[N-[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]naphthalen-1-ol

C22H18FN3OS — CID 135819318

IUPAC2-[N-[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]naphthalen-1-ol
SMILESC/N=c1\scc(-c2ccc(F)cc2)n1N=C(C)c1ccc2ccccc2c1O
InChIInChI=1S/C22H18FN3OS/c1-14(18-12-9-15-5-3-4-6-19(15)21(18)27)25-26-20(13-28-22(26)24-2)16-7-10-17(23)11-8-16/h3-13,27H,1-2H3/b24-22-,25-14?
InChIKeyISDJGFWLMQZZOE-HRNGADDLSA-N
MW391.47 g/mol
LogP5.02
Rot. Bonds3

About 2-[N-[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]naphthalen-1-ol

2-[N-[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]naphthalen-1-ol (PubChem CID 135819318) has the molecular formula C22H18FN3OS and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[N-[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[N-[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]naphthalen-1-ol
PubChem CID135819318
Molecular FormulaC22H18FN3OS
Molecular Weight391.47 g/mol
Exact Mass391.12
IUPAC Name2-[N-[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]naphthalen-1-ol
SMILESC/N=c1\scc(-c2ccc(F)cc2)n1N=C(C)c1ccc2ccccc2c1O
InChIInChI=1S/C22H18FN3OS/c1-14(18-12-9-15-5-3-4-6-19(15)21(18)27)25-26-20(13-28-22(26)24-2)16-7-10-17(23)11-8-16/h3-13,27H,1-2H3/b24-22-,25-14?
InChIKeyISDJGFWLMQZZOE-HRNGADDLSA-N
XLogP5.02
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[N-[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]naphthalen-1-ol 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

3-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
CID 23767050
4-[[3-[1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 135676741
3-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-4-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
CID 4040379
4-[C-methyl-N-(2-methylimino-4-phenyl-1,3-thiazol-3-yl)carbonimidoyl]benzene-1,3-diol
CID 135856252
N-methyl-4-phenyl-3-(1-phenylethylideneamino)-1,3-thiazol-2-imine
CID 23936914
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-naphthalen-1-yl-1,3-thiazol-3-yl)carbonimidoyl]phenol
CID 135720820
2-[N-[4-(2,5-dimethoxyphenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]naphthalen-1-ol
CID 135778684
4-[C-methyl-N-[2-methylimino-4-(4-methylphenyl)-1,3-thiazol-3-yl]carbonimidoyl]phenol
CID 135681328
2-(C,N-dimethylcarbonimidoyl)naphthalen-1-ol
CID 135790005
N-ethyl-4-(4-fluorophenyl)-3-(4-phenylbutan-2-ylideneamino)-1,3-thiazol-2-imine
CID 23794045
4-[N-[2-ethylimino-4-(4-methylphenyl)-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]benzene-1,3-diol
CID 135822977

Frequently Asked Questions

What is the IUPAC name of 2-[N-[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]naphthalen-1-ol?
The IUPAC name of 2-[N-[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]naphthalen-1-ol (CID 135819318) is 2-[N-[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]naphthalen-1-ol.
What is the SMILES notation for 2-[N-[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]naphthalen-1-ol?
The canonical SMILES for 2-[N-[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]naphthalen-1-ol is C/N=c1\scc(-c2ccc(F)cc2)n1N=C(C)c1ccc2ccccc2c1O.
What is the InChIKey of 2-[N-[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]naphthalen-1-ol?
The InChIKey is ISDJGFWLMQZZOE-HRNGADDLSA-N. The full InChI is InChI=1S/C22H18FN3OS/c1-14(18-12-9-15-5-3-4-6-19(15)21(18)27)25-26-20(13-28-22(26)24-2)16-7-10-17(23)11-8-16/h3-13,27H,1-2H3/b24-22-,25-14?.
What are the key properties of 2-[N-[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]naphthalen-1-ol?
2-[N-[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]naphthalen-1-ol has a molecular weight of 391.47 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[4-(4-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]naphthalen-1-ol is sourced from PubChem (CID 135819318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).