4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-(1-thiophen-2-ylethylideneamino)-1,3-thiazol-2-imine

C19H18FN3S2 — CID 23857141

IUPAC4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-(1-thiophen-2-ylethylideneamino)-1,3-thiazol-2-imine
SMILESC=C(C)C/N=c1\scc(-c2ccc(F)cc2)n1N=C(C)c1cccs1
InChIInChI=1S/C19H18FN3S2/c1-13(2)11-21-19-23(22-14(3)18-5-4-10-24-18)17(12-25-19)15-6-8-16(20)9-7-15/h4-10,12H,1,11H2,2-3H3/b21-19-,22-14?
InChIKeyRMSQBBQGNHNUMF-XFPNFMLJSA-N
MW371.51 g/mol
LogP5.17
Rot. Bonds5

About 4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-(1-thiophen-2-ylethylideneamino)-1,3-thiazol-2-imine

4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-(1-thiophen-2-ylethylideneamino)-1,3-thiazol-2-imine (PubChem CID 23857141) 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-(1-thiophen-2-ylethylideneamino)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-(1-thiophen-2-ylethylideneamino)-1,3-thiazol-2-imine
PubChem CID23857141
Molecular FormulaC19H18FN3S2
Molecular Weight371.51 g/mol
Exact Mass371.09
IUPAC Name4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-(1-thiophen-2-ylethylideneamino)-1,3-thiazol-2-imine
SMILESC=C(C)C/N=c1\scc(-c2ccc(F)cc2)n1N=C(C)c1cccs1
InChIInChI=1S/C19H18FN3S2/c1-13(2)11-21-19-23(22-14(3)18-5-4-10-24-18)17(12-25-19)15-6-8-16(20)9-7-15/h4-10,12H,1,11H2,2-3H3/b21-19-,22-14?
InChIKeyRMSQBBQGNHNUMF-XFPNFMLJSA-N
XLogP5.17
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 ≤ 55.17
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-[5-(4-Fluorophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
CID 66488890
(E)-4-phenyl-3-prop-2-enyl-N-[(E)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 90675448
(E)-4-phenyl-3-prop-2-enyl-N-[(E)-[(E)-3-thiophen-2-ylprop-2-enylidene]amino]-1,3-thiazol-2-imine
CID 90675449
(E)-N-methyl-4-phenyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6903342
(E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6906386
N-benzyl-3-methyl-5-thiophen-2-yl-6H-1,3,4-thiadiazin-2-imine
CID 9112341
4-(2-fluorophenyl)-N-methyl-3-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 2365564
(E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 6902627
(E)-N-(2-fluorophenyl)-4-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6904176
(E)-4-(4-fluorophenyl)-3-[(E)-(4-methylsulfanylphenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
CID 6904582
(E)-4-(2-fluorophenyl)-3-[(E)-(4-methylsulfanylphenyl)methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
CID 6904698
N-[(2-fluoro-5-methylphenyl)methyl]-N-[(E)-[(3E,5Z)-7-methyliminohepta-3,5-dien-2-ylidene]amino]-1-thiophen-2-ylethenamine
CID 129169456

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-(1-thiophen-2-ylethylideneamino)-1,3-thiazol-2-imine?
The IUPAC name of 4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-(1-thiophen-2-ylethylideneamino)-1,3-thiazol-2-imine (CID 23857141) is 4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-(1-thiophen-2-ylethylideneamino)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-(1-thiophen-2-ylethylideneamino)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-(1-thiophen-2-ylethylideneamino)-1,3-thiazol-2-imine is C=C(C)C/N=c1\scc(-c2ccc(F)cc2)n1N=C(C)c1cccs1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-(1-thiophen-2-ylethylideneamino)-1,3-thiazol-2-imine?
The InChIKey is RMSQBBQGNHNUMF-XFPNFMLJSA-N. The full InChI is InChI=1S/C19H18FN3S2/c1-13(2)11-21-19-23(22-14(3)18-5-4-10-24-18)17(12-25-19)15-6-8-16(20)9-7-15/h4-10,12H,1,11H2,2-3H3/b21-19-,22-14?.
What are the key properties of 4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-(1-thiophen-2-ylethylideneamino)-1,3-thiazol-2-imine?
4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-(1-thiophen-2-ylethylideneamino)-1,3-thiazol-2-imine has a molecular weight of 371.51 g/mol, XLogP of 5.17, 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-(1-thiophen-2-ylethylideneamino)-1,3-thiazol-2-imine is sourced from PubChem (CID 23857141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).