1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-propan-2-ylthiourea

C18H29N3O3S — CID 8627378

IUPAC1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-propan-2-ylthiourea
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=S)NC(C)C
InChIInChI=1S/C18H29N3O3S/c1-5-23-16-12-15(21-7-9-22-10-8-21)17(24-6-2)11-14(16)20-18(25)19-13(3)4/h11-13H,5-10H2,1-4H3,(H2,19,20,25)
InChIKeyCEYLPDIEIBBQNF-UHFFFAOYSA-N
MW367.52 g/mol
LogP3.02
Rot. Bonds7

About 1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-propan-2-ylthiourea

1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-propan-2-ylthiourea (PubChem CID 8627378) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is 1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-propan-2-ylthiourea.

Molecular Properties

Compound Name1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-propan-2-ylthiourea
PubChem CID8627378
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC Name1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-propan-2-ylthiourea
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=S)NC(C)C
InChIInChI=1S/C18H29N3O3S/c1-5-23-16-12-15(21-7-9-22-10-8-21)17(24-6-2)11-14(16)20-18(25)19-13(3)4/h11-13H,5-10H2,1-4H3,(H2,19,20,25)
InChIKeyCEYLPDIEIBBQNF-UHFFFAOYSA-N
XLogP3.02
TPSA54.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(azepan-1-yl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)propanamide
CID 9323693
[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 2-methylpropanoate
CID 7780747
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide
CID 9079407
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 7395843
(2S)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 41056650
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-phenoxypropanamide
CID 3450203
(2S)-2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)propanamide
CID 98215981
N-[1-(2,5-diethoxy-4-morpholin-4-ylanilino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 55345333
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 7738305
ethyl 2-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetate
CID 7952651
2-butoxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 3508709
(1R,6R)-6-[(2,5-diethoxy-4-morpholin-4-ylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1139568

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-propan-2-ylthiourea?
The IUPAC name of 1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-propan-2-ylthiourea (CID 8627378) is 1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-propan-2-ylthiourea.
What is the SMILES notation for 1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-propan-2-ylthiourea?
The canonical SMILES for 1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-propan-2-ylthiourea is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=S)NC(C)C.
What is the InChIKey of 1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-propan-2-ylthiourea?
The InChIKey is CEYLPDIEIBBQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-5-23-16-12-15(21-7-9-22-10-8-21)17(24-6-2)11-14(16)20-18(25)19-13(3)4/h11-13H,5-10H2,1-4H3,(H2,19,20,25).
What are the key properties of 1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-propan-2-ylthiourea?
1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-propan-2-ylthiourea has a molecular weight of 367.52 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-propan-2-ylthiourea is sourced from PubChem (CID 8627378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).