4-fluoro-N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]aniline

C20H19FN4OS — CID 3405666

IUPAC4-fluoro-N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]aniline
SMILESFc1ccc(NN=Cc2sc(N3CCOCC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C20H19FN4OS/c21-16-6-8-17(9-7-16)24-22-14-18-19(15-4-2-1-3-5-15)23-20(27-18)25-10-12-26-13-11-25/h1-9,14,24H,10-13H2
InChIKeyFVHIAHJNCPJSRH-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.23
Rot. Bonds5

About 4-fluoro-N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]aniline

4-fluoro-N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]aniline (PubChem CID 3405666) has the molecular formula C20H19FN4OS and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-fluoro-N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]aniline.

Molecular Properties

Compound Name4-fluoro-N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]aniline
PubChem CID3405666
Molecular FormulaC20H19FN4OS
Molecular Weight382.46 g/mol
Exact Mass382.13
IUPAC Name4-fluoro-N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]aniline
SMILESFc1ccc(NN=Cc2sc(N3CCOCC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C20H19FN4OS/c21-16-6-8-17(9-7-16)24-22-14-18-19(15-4-2-1-3-5-15)23-20(27-18)25-10-12-26-13-11-25/h1-9,14,24H,10-13H2
InChIKeyFVHIAHJNCPJSRH-UHFFFAOYSA-N
XLogP4.23
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzamide
CID 6904363
(E)-1-(4-fluorophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one
CID 8856182
4-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzenesulfonamide
CID 6904054
(Z)-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9027935
(Z)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methanimine
CID 9012646
2,5-dimethyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]furan-3-carboxamide
CID 6904472
N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 4189761
(E)-3-methyl-N-[(E)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-1,3-benzothiazol-2-imine
CID 6902132
(3Z)-1-methyl-3-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylidene]indol-2-one
CID 2108016
4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]butanamide
CID 6041310
(E)-N-(3,4-dimethoxyphenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide
CID 155515525
(E)-N-(2-aminophenyl)-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)prop-2-enamide
CID 155531820

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]aniline?
The IUPAC name of 4-fluoro-N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]aniline (CID 3405666) is 4-fluoro-N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]aniline.
What is the SMILES notation for 4-fluoro-N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]aniline?
The canonical SMILES for 4-fluoro-N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]aniline is Fc1ccc(NN=Cc2sc(N3CCOCC3)nc2-c2ccccc2)cc1.
What is the InChIKey of 4-fluoro-N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]aniline?
The InChIKey is FVHIAHJNCPJSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4OS/c21-16-6-8-17(9-7-16)24-22-14-18-19(15-4-2-1-3-5-15)23-20(27-18)25-10-12-26-13-11-25/h1-9,14,24H,10-13H2.
What are the key properties of 4-fluoro-N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]aniline?
4-fluoro-N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]aniline has a molecular weight of 382.46 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]aniline is sourced from PubChem (CID 3405666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).