N-[(4-fluorophenyl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine

C19H16FN3S — CID 1498067

IUPACN-[(4-fluorophenyl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CCn1c(-c2ccccc2)csc1=NN=Cc1ccc(F)cc1
InChIInChI=1S/C19H16FN3S/c1-2-12-23-18(16-6-4-3-5-7-16)14-24-19(23)22-21-13-15-8-10-17(20)11-9-15/h2-11,13-14H,1,12H2
InChIKeyGNXRSOGQEFOHRE-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.48
Rot. Bonds5

About N-[(4-fluorophenyl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine

N-[(4-fluorophenyl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine (PubChem CID 1498067) has the molecular formula C19H16FN3S and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine
PubChem CID1498067
Molecular FormulaC19H16FN3S
Molecular Weight337.42 g/mol
Exact Mass337.10
IUPAC NameN-[(4-fluorophenyl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CCn1c(-c2ccccc2)csc1=NN=Cc1ccc(F)cc1
InChIInChI=1S/C19H16FN3S/c1-2-12-23-18(16-6-4-3-5-7-16)14-24-19(23)22-21-13-15-8-10-17(20)11-9-15/h2-11,13-14H,1,12H2
InChIKeyGNXRSOGQEFOHRE-UHFFFAOYSA-N
XLogP4.48
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4H-Thiazolo(2,3-c)-as-triazine, 3,4-diphenyl-6-methyl-
CID 3043860
4H-Thiazolo(2,3-c)-as-triazine, 3,4-diphenyl-6-methyl-, hydrochloride
CID 3043866
(E)-3-benzyl-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 6163400
2-(Benzylidenehydrazono)-3,4-diphenyl-2,3-dihydro-1,3-thiazole
CID 12677063
(E)-4-phenyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-3-prop-2-enyl-1,3-thiazol-2-imine;hydrobromide
CID 90675473
(E)-4-(4-chlorophenyl)-N-[(E)-(4-chlorophenyl)methylideneamino]-3-prop-2-enyl-1,3-thiazol-2-imine
CID 90675475
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
(1Z,2E)-1,2-bis(3-allyl-4-phenylthiazol-2(3H)-ylidene)hydrazine
CID 6893441
(E)-1-phenyl-N-(4-phenyl-3-prop-2-enyl-2H-1,3-thiazol-2-yl)methanimine bromide
CID 45109739
(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

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine?
The IUPAC name of N-[(4-fluorophenyl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine (CID 1498067) is N-[(4-fluorophenyl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine.
What is the SMILES notation for N-[(4-fluorophenyl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine?
The canonical SMILES for N-[(4-fluorophenyl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine is C=CCn1c(-c2ccccc2)csc1=NN=Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine?
The InChIKey is GNXRSOGQEFOHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3S/c1-2-12-23-18(16-6-4-3-5-7-16)14-24-19(23)22-21-13-15-8-10-17(20)11-9-15/h2-11,13-14H,1,12H2.
What are the key properties of N-[(4-fluorophenyl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine?
N-[(4-fluorophenyl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine has a molecular weight of 337.42 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methylideneamino]-4-phenyl-3-prop-2-enyl-1,3-thiazol-2-imine is sourced from PubChem (CID 1498067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).