1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea

C15H23N3O3S — CID 799737

IUPAC1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea
SMILESCOc1cc(NC(=S)NCCN2CCOCC2)cc(OC)c1
InChIInChI=1S/C15H23N3O3S/c1-19-13-9-12(10-14(11-13)20-2)17-15(22)16-3-4-18-5-7-21-8-6-18/h9-11H,3-8H2,1-2H3,(H2,16,17,22)
InChIKeyFEZIQVMTNHXKLD-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.32
Rot. Bonds6

About 1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea

1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea (PubChem CID 799737) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea
PubChem CID799737
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea
SMILESCOc1cc(NC(=S)NCCN2CCOCC2)cc(OC)c1
InChIInChI=1S/C15H23N3O3S/c1-19-13-9-12(10-14(11-13)20-2)17-15(22)16-3-4-18-5-7-21-8-6-18/h9-11H,3-8H2,1-2H3,(H2,16,17,22)
InChIKeyFEZIQVMTNHXKLD-UHFFFAOYSA-N
XLogP1.32
TPSA54.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-Dimethoxyphenyl)piperazine
CID 2736205
N-(3-methoxyphenyl)-4-methylpiperazine-1-carbothioamide
CID 805407
1-(4-Methoxyphenyl)-3-[2-(morpholin-4-yl)ethyl]thiourea
CID 738882
N-(3,5-dimethoxyphenyl)-1-propylpiperidin-4-amine
CID 742837
N-(3,5-dimethoxyphenyl)-4-methylpiperazine-1-carbothioamide
CID 800590
N-(3,5-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carbothioamide
CID 800748
N-(3,5-dimethoxyphenyl)pyrrolidine-1-carbothioamide
CID 19653640
N-(2,5-dimethoxyphenyl)-N'-[3-(4-morpholinyl)propyl]thiourea
CID 2454783
1-(2,4-Dimethoxyphenyl)-3-(oxolan-2-ylmethyl)thiourea
CID 2919552
[3-[5-(4-Morpholinophenoxy)pentoxy]phenyl]thiourea
CID 24798090
N-(3,5-dimethoxyphenyl)-3-morpholin-4-ylpropanamide
CID 772641
1-(3,5-Dimethoxyphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
CID 1077071

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea (CID 799737) is 1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea is COc1cc(NC(=S)NCCN2CCOCC2)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea?
The InChIKey is FEZIQVMTNHXKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-19-13-9-12(10-14(11-13)20-2)17-15(22)16-3-4-18-5-7-21-8-6-18/h9-11H,3-8H2,1-2H3,(H2,16,17,22).
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea?
1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea has a molecular weight of 325.43 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea is sourced from PubChem (CID 799737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).