(Z)-4-(2-fluorophenyl)-N-prop-2-enyl-3-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine

C17H14FN3S2 — CID 6267660

IUPAC(Z)-4-(2-fluorophenyl)-N-prop-2-enyl-3-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2ccccc2F)n1/N=C\c1cccs1
InChIInChI=1S/C17H14FN3S2/c1-2-9-19-17-21(20-11-13-6-5-10-22-13)16(12-23-17)14-7-3-4-8-15(14)18/h2-8,10-12H,1,9H2/b19-17-,20-11-
InChIKeyLCMFBBBEIYJOOQ-VFTLEYESSA-N
MW343.45 g/mol
LogP4.39
Rot. Bonds5

About (Z)-4-(2-fluorophenyl)-N-prop-2-enyl-3-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine

(Z)-4-(2-fluorophenyl)-N-prop-2-enyl-3-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine (PubChem CID 6267660) has the molecular formula C17H14FN3S2 and a molecular weight of 343.45 g/mol. Its IUPAC name is (Z)-4-(2-fluorophenyl)-N-prop-2-enyl-3-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(Z)-4-(2-fluorophenyl)-N-prop-2-enyl-3-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine
PubChem CID6267660
Molecular FormulaC17H14FN3S2
Molecular Weight343.45 g/mol
Exact Mass343.06
IUPAC Name(Z)-4-(2-fluorophenyl)-N-prop-2-enyl-3-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2ccccc2F)n1/N=C\c1cccs1
InChIInChI=1S/C17H14FN3S2/c1-2-9-19-17-21(20-11-13-6-5-10-22-13)16(12-23-17)14-7-3-4-8-15(14)18/h2-8,10-12H,1,9H2/b19-17-,20-11-
InChIKeyLCMFBBBEIYJOOQ-VFTLEYESSA-N
XLogP4.39
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.39
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)-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
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
(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

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2-fluorophenyl)-N-prop-2-enyl-3-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of (Z)-4-(2-fluorophenyl)-N-prop-2-enyl-3-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine (CID 6267660) is (Z)-4-(2-fluorophenyl)-N-prop-2-enyl-3-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for (Z)-4-(2-fluorophenyl)-N-prop-2-enyl-3-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for (Z)-4-(2-fluorophenyl)-N-prop-2-enyl-3-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine is C=CC/N=c1\scc(-c2ccccc2F)n1/N=C\c1cccs1.
What is the InChIKey of (Z)-4-(2-fluorophenyl)-N-prop-2-enyl-3-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine?
The InChIKey is LCMFBBBEIYJOOQ-VFTLEYESSA-N. The full InChI is InChI=1S/C17H14FN3S2/c1-2-9-19-17-21(20-11-13-6-5-10-22-13)16(12-23-17)14-7-3-4-8-15(14)18/h2-8,10-12H,1,9H2/b19-17-,20-11-.
What are the key properties of (Z)-4-(2-fluorophenyl)-N-prop-2-enyl-3-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine?
(Z)-4-(2-fluorophenyl)-N-prop-2-enyl-3-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine has a molecular weight of 343.45 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2-fluorophenyl)-N-prop-2-enyl-3-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 6267660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).