1-(3,4-dipropoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea

C19H31N3O3S — CID 8660334

IUPAC1-(3,4-dipropoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea
SMILESCCCOc1ccc(NC(=S)NCCN2CCOCC2)cc1OCCC
InChIInChI=1S/C19H31N3O3S/c1-3-11-24-17-6-5-16(15-18(17)25-12-4-2)21-19(26)20-7-8-22-9-13-23-14-10-22/h5-6,15H,3-4,7-14H2,1-2H3,(H2,20,21,26)
InChIKeyXLSATBFGCHIREZ-UHFFFAOYSA-N
MW381.54 g/mol
LogP2.88
Rot. Bonds10

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

1-(3,4-dipropoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea (PubChem CID 8660334) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is 1-(3,4-dipropoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea.

Molecular Properties

Compound Name1-(3,4-dipropoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea
PubChem CID8660334
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC Name1-(3,4-dipropoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea
SMILESCCCOc1ccc(NC(=S)NCCN2CCOCC2)cc1OCCC
InChIInChI=1S/C19H31N3O3S/c1-3-11-24-17-6-5-16(15-18(17)25-12-4-2)21-19(26)20-7-8-22-9-13-23-14-10-22/h5-6,15H,3-4,7-14H2,1-2H3,(H2,20,21,26)
InChIKeyXLSATBFGCHIREZ-UHFFFAOYSA-N
XLogP2.88
TPSA54.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 52.88
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-(3,4-dipropoxyphenyl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 8660333
1-(4-butylphenyl)-3-(2-morpholin-4-ylethyl)thiourea
CID 2192072
1-[(E)-(3-chloro-4-propoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 110508469
1-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea
CID 8618749
1-(3-chloro-4-methoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8618840
1-benzyl-3-(3,4-dipropoxyphenyl)thiourea
CID 8660330
1-[4-(ethylsulfamoyl)phenyl]-3-(2-morpholin-4-ylethyl)thiourea
CID 17255659
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-morpholin-4-ylethyl)thiourea
CID 2400156
1-[(E)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 110508421
N'-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944084
1-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 110508432
1-(3,4-diethoxyphenyl)-3-(2-methoxyethyl)thiourea
CID 8660360

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dipropoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea?
The IUPAC name of 1-(3,4-dipropoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea (CID 8660334) is 1-(3,4-dipropoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea.
What is the SMILES notation for 1-(3,4-dipropoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea?
The canonical SMILES for 1-(3,4-dipropoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea is CCCOc1ccc(NC(=S)NCCN2CCOCC2)cc1OCCC.
What is the InChIKey of 1-(3,4-dipropoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea?
The InChIKey is XLSATBFGCHIREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-3-11-24-17-6-5-16(15-18(17)25-12-4-2)21-19(26)20-7-8-22-9-13-23-14-10-22/h5-6,15H,3-4,7-14H2,1-2H3,(H2,20,21,26).
What are the key properties of 1-(3,4-dipropoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea?
1-(3,4-dipropoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea has a molecular weight of 381.54 g/mol, XLogP of 2.88, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dipropoxyphenyl)-3-(2-morpholin-4-ylethyl)thiourea is sourced from PubChem (CID 8660334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).