4-[[2-(4-fluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]phenol

C20H14FN3OS2 — CID 135573770

IUPAC4-[[2-(4-fluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]phenol
SMILESOc1ccc(C=Nn2c(-c3cccs3)cs/c2=N\c2ccc(F)cc2)cc1
InChIInChI=1S/C20H14FN3OS2/c21-15-5-7-16(8-6-15)23-20-24(18(13-27-20)19-2-1-11-26-19)22-12-14-3-9-17(25)10-4-14/h1-13,25H/b22-12?,23-20-
InChIKeyIBPXDXNBCYEEAD-VJWDVTLASA-N
MW395.48 g/mol
LogP5.24
Rot. Bonds4

About 4-[[2-(4-fluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]phenol

4-[[2-(4-fluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]phenol (PubChem CID 135573770) has the molecular formula C20H14FN3OS2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 4-[[2-(4-fluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]phenol.

Molecular Properties

Compound Name4-[[2-(4-fluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]phenol
PubChem CID135573770
Molecular FormulaC20H14FN3OS2
Molecular Weight395.48 g/mol
Exact Mass395.06
IUPAC Name4-[[2-(4-fluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]phenol
SMILESOc1ccc(C=Nn2c(-c3cccs3)cs/c2=N\c2ccc(F)cc2)cc1
InChIInChI=1S/C20H14FN3OS2/c21-15-5-7-16(8-6-15)23-20-24(18(13-27-20)19-2-1-11-26-19)22-12-14-3-9-17(25)10-4-14/h1-13,25H/b22-12?,23-20-
InChIKeyIBPXDXNBCYEEAD-VJWDVTLASA-N
XLogP5.24
TPSA49.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.48
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-[(E)-(2-methylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]phenol
CID 135401264
4-[(E)-[2-(2-methylprop-2-enylimino)-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]benzene-1,2-diol
CID 135684468
4-(5-bromothiophen-2-yl)-3-[[4-(difluoromethoxy)phenyl]methylideneamino]-N-(2,4-difluorophenyl)-1,3-thiazol-2-imine
CID 2400149
(Z)-4-(5-bromothiophen-2-yl)-3-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-N-(2,4-difluorophenyl)-1,3-thiazol-2-imine
CID 5682034
(E)-4-(5-bromothiophen-2-yl)-3-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-N-(2,4-difluorophenyl)-1,3-thiazol-2-imine
CID 6904511
4-[[4-(4-Fluorophenyl)-2-methylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135573800
4-[N-[2-(2,4-difluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]benzene-1,3-diol
CID 135592162
4-[[2-(4-Fluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]benzene-1,3-diol
CID 135594272
4-[[2-(4-Fluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]benzene-1,2,3-triol
CID 135748734
4-[[2-(2,4-Difluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]benzene-1,2,3-triol
CID 135749284
4-[N-[2-(4-fluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]-C-methylcarbonimidoyl]benzene-1,3-diol
CID 135772428
4-[[4-(4-Fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135813515

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-fluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]phenol?
The IUPAC name of 4-[[2-(4-fluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]phenol (CID 135573770) is 4-[[2-(4-fluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]phenol.
What is the SMILES notation for 4-[[2-(4-fluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]phenol?
The canonical SMILES for 4-[[2-(4-fluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]phenol is Oc1ccc(C=Nn2c(-c3cccs3)cs/c2=N\c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[[2-(4-fluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]phenol?
The InChIKey is IBPXDXNBCYEEAD-VJWDVTLASA-N. The full InChI is InChI=1S/C20H14FN3OS2/c21-15-5-7-16(8-6-15)23-20-24(18(13-27-20)19-2-1-11-26-19)22-12-14-3-9-17(25)10-4-14/h1-13,25H/b22-12?,23-20-.
What are the key properties of 4-[[2-(4-fluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]phenol?
4-[[2-(4-fluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]phenol has a molecular weight of 395.48 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-fluorophenyl)imino-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]phenol is sourced from PubChem (CID 135573770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).