(E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine

C18H16FN3S2 — CID 6902627

IUPAC(E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccccc2F)n1/N=C/c1ccc(SC)cc1
InChIInChI=1S/C18H16FN3S2/c1-20-18-22(21-11-13-7-9-14(23-2)10-8-13)17(12-24-18)15-5-3-4-6-16(15)19/h3-12H,1-2H3/b20-18-,21-11+
InChIKeyWYHZNRGAXIJZTG-JZMJZRGMSA-N
MW357.48 g/mol
LogP4.49
Rot. Bonds4

About (E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine

(E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine (PubChem CID 6902627) has the molecular formula C18H16FN3S2 and a molecular weight of 357.48 g/mol. Its IUPAC name is (E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine
PubChem CID6902627
Molecular FormulaC18H16FN3S2
Molecular Weight357.48 g/mol
Exact Mass357.08
IUPAC Name(E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine
SMILESC/N=c1\scc(-c2ccccc2F)n1/N=C/c1ccc(SC)cc1
InChIInChI=1S/C18H16FN3S2/c1-20-18-22(21-11-13-7-9-14(23-2)10-8-13)17(12-24-18)15-5-3-4-6-16(15)19/h3-12H,1-2H3/b20-18-,21-11+
InChIKeyWYHZNRGAXIJZTG-JZMJZRGMSA-N
XLogP4.49
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-methyl-4-phenyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6903342
4-(2-Fluorophenyl)-3-{[(3-fluorophenyl)methylidene]amino}-N-methyl-1,3-thiazol-2(3H)-imine
CID 2380455
(E)-3-[(E)-benzylideneamino]-4-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
CID 6902624
(E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-thiophen-3-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6906386
(Z)-4-(2-fluorophenyl)-3-[(Z)-(2-fluorophenyl)methylideneamino]-N-methyl-1,3-thiazol-2-imine
CID 5678863
3-[(2,4-difluorophenyl)methylideneamino]-N-ethyl-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 2338816
3-[(4-fluorophenyl)methylideneamino]-N-methyl-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 2338988
3-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 2338989
4-(4-fluorophenyl)-N-methyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine
CID 2342348
3-(benzylideneamino)-4-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-imine
CID 2365551
4-(2-fluorophenyl)-N-methyl-3-[(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine
CID 2365564
N-methyl-4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-imine
CID 2383492

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of (E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine (CID 6902627) is (E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for (E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine is C/N=c1\scc(-c2ccccc2F)n1/N=C/c1ccc(SC)cc1.
What is the InChIKey of (E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine?
The InChIKey is WYHZNRGAXIJZTG-JZMJZRGMSA-N. The full InChI is InChI=1S/C18H16FN3S2/c1-20-18-22(21-11-13-7-9-14(23-2)10-8-13)17(12-24-18)15-5-3-4-6-16(15)19/h3-12H,1-2H3/b20-18-,21-11+.
What are the key properties of (E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine?
(E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine has a molecular weight of 357.48 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-fluorophenyl)-N-methyl-3-[(E)-(4-methylsulfanylphenyl)methylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 6902627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).