1-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-2-methylidenepentan-1-one

C20H24N2O3S — CID 177183884

IUPAC1-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-2-methylidenepentan-1-one
SMILESC=C(CCC)C(=O)N1CCOC(c2nc(-c3ccccc3OC)cs2)C1
InChIInChI=1S/C20H24N2O3S/c1-4-7-14(2)20(23)22-10-11-25-18(12-22)19-21-16(13-26-19)15-8-5-6-9-17(15)24-3/h5-6,8-9,13,18H,2,4,7,10-12H2,1,3H3
InChIKeyRECXCKPFMGDZGL-UHFFFAOYSA-N
MW372.49 g/mol
LogP4.07
Rot. Bonds6

About 1-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-2-methylidenepentan-1-one

1-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-2-methylidenepentan-1-one (PubChem CID 177183884) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-2-methylidenepentan-1-one.

Molecular Properties

Compound Name1-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-2-methylidenepentan-1-one
PubChem CID177183884
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name1-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-2-methylidenepentan-1-one
SMILESC=C(CCC)C(=O)N1CCOC(c2nc(-c3ccccc3OC)cs2)C1
InChIInChI=1S/C20H24N2O3S/c1-4-7-14(2)20(23)22-10-11-25-18(12-22)19-21-16(13-26-19)15-8-5-6-9-17(15)24-3/h5-6,8-9,13,18H,2,4,7,10-12H2,1,3H3
InChIKeyRECXCKPFMGDZGL-UHFFFAOYSA-N
XLogP4.07
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]-phenylmethanone
CID 177184019
ethane;2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine
CID 177183918
(4R)-4-methoxy-1-[4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one
CID 99830736
cyclohexa-1,5-dien-1-yl-[6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]methanone
CID 177183944
2-[4-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid
CID 126789660
1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907682
1-bicyclo[2.1.1]hexanyl-[(2R)-2-[4-[2-(1-hydroxycyclopropyl)phenyl]-1,3-thiazol-2-yl]morpholin-4-yl]methanone
CID 177183927
[(2R)-2-[4-(2,4-difluoro-6-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-(1-methylcyclopropyl)methanone
CID 177184012
2-(2-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
CID 31414964
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 4003372
(2-methoxyphenyl)-(2-pyrazin-2-ylmorpholin-4-yl)methanone
CID 127246249
[(2R)-2-[4-(1,3-benzodioxol-4-yl)-1,3-thiazol-2-yl]morpholin-4-yl]-(1-bicyclo[2.1.1]hexanyl)methanone
CID 177184033

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-2-methylidenepentan-1-one?
The IUPAC name of 1-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-2-methylidenepentan-1-one (CID 177183884) is 1-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-2-methylidenepentan-1-one.
What is the SMILES notation for 1-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-2-methylidenepentan-1-one?
The canonical SMILES for 1-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-2-methylidenepentan-1-one is C=C(CCC)C(=O)N1CCOC(c2nc(-c3ccccc3OC)cs2)C1.
What is the InChIKey of 1-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-2-methylidenepentan-1-one?
The InChIKey is RECXCKPFMGDZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-4-7-14(2)20(23)22-10-11-25-18(12-22)19-21-16(13-26-19)15-8-5-6-9-17(15)24-3/h5-6,8-9,13,18H,2,4,7,10-12H2,1,3H3.
What are the key properties of 1-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-2-methylidenepentan-1-one?
1-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-2-methylidenepentan-1-one has a molecular weight of 372.49 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-2-methylidenepentan-1-one is sourced from PubChem (CID 177183884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).