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

C18H16FN3OS — CID 135765759

IUPAC4-[N-[4-(2-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]phenol
SMILESC/N=c1\scc(-c2ccccc2F)n1N=C(C)c1ccc(O)cc1
InChIInChI=1S/C18H16FN3OS/c1-12(13-7-9-14(23)10-8-13)21-22-17(11-24-18(22)20-2)15-5-3-4-6-16(15)19/h3-11,23H,1-2H3/b20-18-,21-12?
InChIKeyDYPCNNXSDUKBGF-OHOSSAGOSA-N
MW341.41 g/mol
LogP3.86
Rot. Bonds3

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

4-[N-[4-(2-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]phenol (PubChem CID 135765759) has the molecular formula C18H16FN3OS and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-[N-[4-(2-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name4-[N-[4-(2-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]phenol
PubChem CID135765759
Molecular FormulaC18H16FN3OS
Molecular Weight341.41 g/mol
Exact Mass341.10
IUPAC Name4-[N-[4-(2-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]phenol
SMILESC/N=c1\scc(-c2ccccc2F)n1N=C(C)c1ccc(O)cc1
InChIInChI=1S/C18H16FN3OS/c1-12(13-7-9-14(23)10-8-13)21-22-17(11-24-18(22)20-2)15-5-3-4-6-16(15)19/h3-11,23H,1-2H3/b20-18-,21-12?
InChIKeyDYPCNNXSDUKBGF-OHOSSAGOSA-N
XLogP3.86
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.86
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-(2-fluorophenyl)-N-methyl-3-[1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-imine
CID 23962062
4-(2-fluorophenyl)-3-[1-(3-fluorophenyl)ethylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 23882903
4-[C-methyl-N-(2-methylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)carbonimidoyl]phenol
CID 135720820
3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]-4-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
CID 23934376
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-(2-fluorophenyl)-N-prop-2-enyl-3-(1-pyridin-4-ylethylideneamino)-1,3-thiazol-2-imine
CID 23963655
4-[C-ethyl-N-(2-methylimino-4-naphthalen-1-yl-1,3-thiazol-3-yl)carbonimidoyl]phenol
CID 135813568
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-(3,4,5-trimethoxyphenyl)-1,3-thiazol-3-yl]carbonimidoyl]phenol
CID 135713318
4-(2-fluorophenyl)-N,3-dimethyl-1,3-thiazol-2-imine
CID 2438099
3-[(2,6-difluorophenyl)methylideneamino]-4-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
CID 45115437

Frequently Asked Questions

What is the IUPAC name of 4-[N-[4-(2-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]phenol?
The IUPAC name of 4-[N-[4-(2-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]phenol (CID 135765759) is 4-[N-[4-(2-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 4-[N-[4-(2-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 4-[N-[4-(2-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]phenol is C/N=c1\scc(-c2ccccc2F)n1N=C(C)c1ccc(O)cc1.
What is the InChIKey of 4-[N-[4-(2-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]phenol?
The InChIKey is DYPCNNXSDUKBGF-OHOSSAGOSA-N. The full InChI is InChI=1S/C18H16FN3OS/c1-12(13-7-9-14(23)10-8-13)21-22-17(11-24-18(22)20-2)15-5-3-4-6-16(15)19/h3-11,23H,1-2H3/b20-18-,21-12?.
What are the key properties of 4-[N-[4-(2-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]phenol?
4-[N-[4-(2-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]phenol has a molecular weight of 341.41 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-[4-(2-fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 135765759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).