4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine

C19H18FN3S2 — CID 23855973

IUPAC4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
SMILESC=C(C)C/N=c1\scc(-c2ccc(F)cc2)n1N=Cc1ccc(C)s1
InChIInChI=1S/C19H18FN3S2/c1-13(2)10-21-19-23(22-11-17-9-4-14(3)25-17)18(12-24-19)15-5-7-16(20)8-6-15/h4-9,11-12H,1,10H2,2-3H3/b21-19-,22-11?
InChIKeyQETBOOJVLAHBRS-VXVAVIQKSA-N
MW371.51 g/mol
LogP5.08
Rot. Bonds5

About 4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine

4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine (PubChem CID 23855973) has the molecular formula C19H18FN3S2 and a molecular weight of 371.51 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
PubChem CID23855973
Molecular FormulaC19H18FN3S2
Molecular Weight371.51 g/mol
Exact Mass371.09
IUPAC Name4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
SMILESC=C(C)C/N=c1\scc(-c2ccc(F)cc2)n1N=Cc1ccc(C)s1
InChIInChI=1S/C19H18FN3S2/c1-13(2)10-21-19-23(22-11-17-9-4-14(3)25-17)18(12-24-19)15-5-7-16(20)8-6-15/h4-9,11-12H,1,10H2,2-3H3/b21-19-,22-11?
InChIKeyQETBOOJVLAHBRS-VXVAVIQKSA-N
XLogP5.08
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.51
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-[[4-(4-methylphenyl)-2-(2-methylprop-2-enylimino)-1,3-thiazol-3-yl]iminomethyl]phenol
CID 23964685
3-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
CID 23905208
N-ethyl-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23792028
4-[[4-(4-fluorophenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135813515
(E)-N-ethyl-4-(4-fluorophenyl)-3-[(E)-(2-iodophenyl)methylideneamino]-1,3-thiazol-2-imine
CID 6901226
4-(furan-2-yl)-3-(furan-2-ylmethylideneamino)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
CID 23907790
(Z)-N-ethyl-3-[(Z)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 7959628
(E)-4-(3,4-dimethylphenyl)-3-[(E)-(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine
CID 6906250
4-(4-fluorophenyl)-3-[(4-methylsulfanylphenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
CID 2401260
4-(2-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 23790499
2-[[4-(4-fluorophenyl)-2-(2-phenylethylimino)-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135824895
4-(3,4-dimethylphenyl)-3-[(4-fluorophenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
CID 23909173

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine (CID 23855973) is 4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine is C=C(C)C/N=c1\scc(-c2ccc(F)cc2)n1N=Cc1ccc(C)s1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The InChIKey is QETBOOJVLAHBRS-VXVAVIQKSA-N. The full InChI is InChI=1S/C19H18FN3S2/c1-13(2)10-21-19-23(22-11-17-9-4-14(3)25-17)18(12-24-19)15-5-7-16(20)8-6-15/h4-9,11-12H,1,10H2,2-3H3/b21-19-,22-11?.
What are the key properties of 4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine?
4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine has a molecular weight of 371.51 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 23855973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).