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

C19H18FN3S2 — CID 23731771

IUPAC4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
SMILESC=C(C)C/N=c1\scc(-c2ccc(F)cc2)n1N=Cc1sccc1C
InChIInChI=1S/C19H18FN3S2/c1-13(2)10-21-19-23(22-11-18-14(3)8-9-24-18)17(12-25-19)15-4-6-16(20)7-5-15/h4-9,11-12H,1,10H2,2-3H3/b21-19-,22-11?
InChIKeyNGOSTMNSCAXPTQ-VXVAVIQKSA-N
MW371.51 g/mol
LogP5.08
Rot. Bonds5

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

4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine (PubChem CID 23731771) 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-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
PubChem CID23731771
Molecular FormulaC19H18FN3S2
Molecular Weight371.51 g/mol
Exact Mass371.09
IUPAC Name4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
SMILESC=C(C)C/N=c1\scc(-c2ccc(F)cc2)n1N=Cc1sccc1C
InChIInChI=1S/C19H18FN3S2/c1-13(2)10-21-19-23(22-11-18-14(3)8-9-24-18)17(12-25-19)15-4-6-16(20)7-5-15/h4-9,11-12H,1,10H2,2-3H3/b21-19-,22-11?
InChIKeyNGOSTMNSCAXPTQ-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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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine (CID 23731771) is 4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine is C=C(C)C/N=c1\scc(-c2ccc(F)cc2)n1N=Cc1sccc1C.
What is the InChIKey of 4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine?
The InChIKey is NGOSTMNSCAXPTQ-VXVAVIQKSA-N. The full InChI is InChI=1S/C19H18FN3S2/c1-13(2)10-21-19-23(22-11-18-14(3)8-9-24-18)17(12-25-19)15-4-6-16(20)7-5-15/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-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine?
4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(3-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-[(3-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 23731771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).