[2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone

C19H17FN2O3S — CID 126780059

IUPAC[2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone
SMILESCc1cc(C2CN(C(=O)c3cnc(-c4ccco4)s3)CCO2)ccc1F
InChIInChI=1S/C19H17FN2O3S/c1-12-9-13(4-5-14(12)20)16-11-22(6-8-25-16)19(23)17-10-21-18(26-17)15-3-2-7-24-15/h2-5,7,9-10,16H,6,8,11H2,1H3
InChIKeyNQTHLZSSBZKQRD-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.06
Rot. Bonds3

About [2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone

[2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone (PubChem CID 126780059) has the molecular formula C19H17FN2O3S and a molecular weight of 372.42 g/mol. Its IUPAC name is [2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name[2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone
PubChem CID126780059
Molecular FormulaC19H17FN2O3S
Molecular Weight372.42 g/mol
Exact Mass372.09
IUPAC Name[2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone
SMILESCc1cc(C2CN(C(=O)c3cnc(-c4ccco4)s3)CCO2)ccc1F
InChIInChI=1S/C19H17FN2O3S/c1-12-9-13(4-5-14(12)20)16-11-22(6-8-25-16)19(23)17-10-21-18(26-17)15-3-2-7-24-15/h2-5,7,9-10,16H,6,8,11H2,1H3
InChIKeyNQTHLZSSBZKQRD-UHFFFAOYSA-N
XLogP4.06
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[2-(4-fluoro-3-methylphenyl)morpholine-4-carbonyl]thiophen-3-yl]ethanone
CID 75395432
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 121134791
[2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 95314942
[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[5-(furan-2-yl)-1,3-oxazol-4-yl]methanone
CID 95627585
[2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(1,2,4-triazol-1-ylmethyl)phenyl]methanone
CID 126787424
4-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]morpholine-2-carboxylic acid
CID 119239535
[2-(furan-2-yl)-1,3-thiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 71878575
[2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95341522
(3R)-1-[2-(furan-2-yl)-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695780
5-[2-(3-chloro-4-fluorophenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid
CID 119183890
[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone
CID 124949665
(2S)-2-(4-fluoro-3-methylphenyl)-N-[(1-methylpyrrol-3-yl)methyl]morpholine-4-carboxamide
CID 97249747

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of [2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone (CID 126780059) is [2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for [2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for [2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone is Cc1cc(C2CN(C(=O)c3cnc(-c4ccco4)s3)CCO2)ccc1F.
What is the InChIKey of [2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone?
The InChIKey is NQTHLZSSBZKQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3S/c1-12-9-13(4-5-14(12)20)16-11-22(6-8-25-16)19(23)17-10-21-18(26-17)15-3-2-7-24-15/h2-5,7,9-10,16H,6,8,11H2,1H3.
What are the key properties of [2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone?
[2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone has a molecular weight of 372.42 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoro-3-methylphenyl)morpholin-4-yl]-[2-(furan-2-yl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 126780059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).