[(2S)-2-(2-methylphenyl)morpholin-4-yl]-[2-(prop-2-enylamino)-1,3-thiazol-5-yl]methanone

C18H21N3O2S — CID 97236872

IUPAC[(2S)-2-(2-methylphenyl)morpholin-4-yl]-[2-(prop-2-enylamino)-1,3-thiazol-5-yl]methanone
SMILESC=CCNc1ncc(C(=O)N2CCO[C@@H](c3ccccc3C)C2)s1
InChIInChI=1S/C18H21N3O2S/c1-3-8-19-18-20-11-16(24-18)17(22)21-9-10-23-15(12-21)14-7-5-4-6-13(14)2/h3-7,11,15H,1,8-10,12H2,2H3,(H,19,20)/t15-/m1/s1
InChIKeyITTKDMLOGZNQCS-OAHLLOKOSA-N
MW343.45 g/mol
LogP3.26
Rot. Bonds5

About [(2S)-2-(2-methylphenyl)morpholin-4-yl]-[2-(prop-2-enylamino)-1,3-thiazol-5-yl]methanone

[(2S)-2-(2-methylphenyl)morpholin-4-yl]-[2-(prop-2-enylamino)-1,3-thiazol-5-yl]methanone (PubChem CID 97236872) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is [(2S)-2-(2-methylphenyl)morpholin-4-yl]-[2-(prop-2-enylamino)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-(2-methylphenyl)morpholin-4-yl]-[2-(prop-2-enylamino)-1,3-thiazol-5-yl]methanone
PubChem CID97236872
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name[(2S)-2-(2-methylphenyl)morpholin-4-yl]-[2-(prop-2-enylamino)-1,3-thiazol-5-yl]methanone
SMILESC=CCNc1ncc(C(=O)N2CCO[C@@H](c3ccccc3C)C2)s1
InChIInChI=1S/C18H21N3O2S/c1-3-8-19-18-20-11-16(24-18)17(22)21-9-10-23-15(12-21)14-7-5-4-6-13(14)2/h3-7,11,15H,1,8-10,12H2,2H3,(H,19,20)/t15-/m1/s1
InChIKeyITTKDMLOGZNQCS-OAHLLOKOSA-N
XLogP3.26
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2S)-2-(2-methylphenyl)morpholin-4-yl]-[2-(prop-2-enylamino)-1,3-thiazol-5-yl]methanone with MolForge

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Related Compounds

ethyl 2-(2-methylphenyl)morpholine-4-carboxylate
CID 71684137
3-amino-3-methyl-1-[2-(2-methylphenyl)morpholin-4-yl]butan-1-one
CID 126789841
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481603
N-ethyl-2-(2-methylphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 109480415
(2R)-2-(2-bromophenyl)-N-prop-2-enylmorpholine-4-carboxamide
CID 95313388
N-(4-chlorophenyl)-2-(2-methylphenyl)morpholine-4-carboxamide
CID 110364497
[2-(2-methylphenyl)morpholin-4-yl]-(oxolan-2-yl)methanone
CID 110364459
2-(1-aminocyclobutyl)-1-[(2S)-2-(2-methylphenyl)morpholin-4-yl]ethanone
CID 124696262
[2-(hydroxymethyl)morpholin-4-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 103804091
3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-2,2-dimethylpropanamide
CID 109480378
N'-methyl-2-(2-methylphenyl)-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 109481075
2-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-N,N-dimethylacetamide
CID 109480637

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2-methylphenyl)morpholin-4-yl]-[2-(prop-2-enylamino)-1,3-thiazol-5-yl]methanone?
The IUPAC name of [(2S)-2-(2-methylphenyl)morpholin-4-yl]-[2-(prop-2-enylamino)-1,3-thiazol-5-yl]methanone (CID 97236872) is [(2S)-2-(2-methylphenyl)morpholin-4-yl]-[2-(prop-2-enylamino)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for [(2S)-2-(2-methylphenyl)morpholin-4-yl]-[2-(prop-2-enylamino)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for [(2S)-2-(2-methylphenyl)morpholin-4-yl]-[2-(prop-2-enylamino)-1,3-thiazol-5-yl]methanone is C=CCNc1ncc(C(=O)N2CCO[C@@H](c3ccccc3C)C2)s1.
What is the InChIKey of [(2S)-2-(2-methylphenyl)morpholin-4-yl]-[2-(prop-2-enylamino)-1,3-thiazol-5-yl]methanone?
The InChIKey is ITTKDMLOGZNQCS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-3-8-19-18-20-11-16(24-18)17(22)21-9-10-23-15(12-21)14-7-5-4-6-13(14)2/h3-7,11,15H,1,8-10,12H2,2H3,(H,19,20)/t15-/m1/s1.
What are the key properties of [(2S)-2-(2-methylphenyl)morpholin-4-yl]-[2-(prop-2-enylamino)-1,3-thiazol-5-yl]methanone?
[(2S)-2-(2-methylphenyl)morpholin-4-yl]-[2-(prop-2-enylamino)-1,3-thiazol-5-yl]methanone has a molecular weight of 343.45 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2-methylphenyl)morpholin-4-yl]-[2-(prop-2-enylamino)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 97236872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).