[2-(4-fluoroanilino)phenyl]-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone

C21H20FN3O2S — CID 126799769

IUPAC[2-(4-fluoroanilino)phenyl]-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone
SMILESCc1csc(C2CN(C(=O)c3ccccc3Nc3ccc(F)cc3)CCO2)n1
InChIInChI=1S/C21H20FN3O2S/c1-14-13-28-20(23-14)19-12-25(10-11-27-19)21(26)17-4-2-3-5-18(17)24-16-8-6-15(22)7-9-16/h2-9,13,19,24H,10-12H2,1H3
InChIKeyFCVNGRCHZGVMME-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.55
Rot. Bonds4

About [2-(4-fluoroanilino)phenyl]-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone

[2-(4-fluoroanilino)phenyl]-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone (PubChem CID 126799769) has the molecular formula C21H20FN3O2S and a molecular weight of 397.48 g/mol. Its IUPAC name is [2-(4-fluoroanilino)phenyl]-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[2-(4-fluoroanilino)phenyl]-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone
PubChem CID126799769
Molecular FormulaC21H20FN3O2S
Molecular Weight397.48 g/mol
Exact Mass397.13
IUPAC Name[2-(4-fluoroanilino)phenyl]-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone
SMILESCc1csc(C2CN(C(=O)c3ccccc3Nc3ccc(F)cc3)CCO2)n1
InChIInChI=1S/C21H20FN3O2S/c1-14-13-28-20(23-14)19-12-25(10-11-27-19)21(26)17-4-2-3-5-18(17)24-16-8-6-15(22)7-9-16/h2-9,13,19,24H,10-12H2,1H3
InChIKeyFCVNGRCHZGVMME-UHFFFAOYSA-N
XLogP4.55
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-chloro-2-hydroxyphenyl)-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 154755989
(2S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 124873671
(2S)-N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 100743878
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 136540841
(2S)-4-(2-anilinobenzoyl)morpholine-2-carboxamide
CID 94371242
(2-fluorophenyl)-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 125015560
(2R)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 100745557
(4-fluorophenyl)-[2-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]methanone
CID 42949392
(2S)-N-[(4-ethyl-2-pyridinyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 100752575
[(3aS,6aS)-1,1-dioxo-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-5-yl]-[2-(4-fluoroanilino)phenyl]methanone
CID 126798892
[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 96556883
[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 100746996

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)phenyl]-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone?
The IUPAC name of [2-(4-fluoroanilino)phenyl]-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone (CID 126799769) is [2-(4-fluoroanilino)phenyl]-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for [2-(4-fluoroanilino)phenyl]-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for [2-(4-fluoroanilino)phenyl]-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone is Cc1csc(C2CN(C(=O)c3ccccc3Nc3ccc(F)cc3)CCO2)n1.
What is the InChIKey of [2-(4-fluoroanilino)phenyl]-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone?
The InChIKey is FCVNGRCHZGVMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2S/c1-14-13-28-20(23-14)19-12-25(10-11-27-19)21(26)17-4-2-3-5-18(17)24-16-8-6-15(22)7-9-16/h2-9,13,19,24H,10-12H2,1H3.
What are the key properties of [2-(4-fluoroanilino)phenyl]-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone?
[2-(4-fluoroanilino)phenyl]-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone has a molecular weight of 397.48 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoroanilino)phenyl]-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 126799769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).