1-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea

C18H28N4O3S — CID 110508432

IUPAC1-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
SMILESCCCOc1c(/C=N/NC(=S)NCCN2CCOCC2)cccc1OC
InChIInChI=1S/C18H28N4O3S/c1-3-11-25-17-15(5-4-6-16(17)23-2)14-20-21-18(26)19-7-8-22-9-12-24-13-10-22/h4-6,14H,3,7-13H2,1-2H3,(H2,19,21,26)/b20-14+
InChIKeyMJRSNXRPOYRRQG-XSFVSMFZSA-N
MW380.51 g/mol
LogP1.61
Rot. Bonds9

About 1-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea

1-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea (PubChem CID 110508432) has the molecular formula C18H28N4O3S and a molecular weight of 380.51 g/mol. Its IUPAC name is 1-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea.

Molecular Properties

Compound Name1-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
PubChem CID110508432
Molecular FormulaC18H28N4O3S
Molecular Weight380.51 g/mol
Exact Mass380.19
IUPAC Name1-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
SMILESCCCOc1c(/C=N/NC(=S)NCCN2CCOCC2)cccc1OC
InChIInChI=1S/C18H28N4O3S/c1-3-11-25-17-15(5-4-6-16(17)23-2)14-20-21-18(26)19-7-8-22-9-12-24-13-10-22/h4-6,14H,3,7-13H2,1-2H3,(H2,19,21,26)/b20-14+
InChIKeyMJRSNXRPOYRRQG-XSFVSMFZSA-N
XLogP1.61
TPSA67.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]thiourea
CID 168535434
1-(2-morpholin-4-ylethyl)-3-[(2,4,5-trimethoxyphenyl)methylideneamino]thiourea
CID 2369734
1-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 135433240
N-[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]aniline
CID 169383017
1-[(E)-(2-chloro-3-hydroxy-4-methoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 110508502
1-[(E)-(3-chloro-4-propoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 110508469
1-[(2-iodophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 2402954
1-[(E)-(2,3-dibromo-4,5-dimethoxyphenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 162667099
1-[(2,3-dimethoxyphenyl)methylideneamino]-3-dodecylthiourea
CID 4532382
1-[(E)-(1-methylindol-3-yl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 110508506
2-[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]guanidine
CID 168592427
1-[(E)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-3-(2-morpholin-4-ylethyl)thiourea
CID 110508445

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea?
The IUPAC name of 1-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea (CID 110508432) is 1-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea.
What is the SMILES notation for 1-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea?
The canonical SMILES for 1-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea is CCCOc1c(/C=N/NC(=S)NCCN2CCOCC2)cccc1OC.
What is the InChIKey of 1-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea?
The InChIKey is MJRSNXRPOYRRQG-XSFVSMFZSA-N. The full InChI is InChI=1S/C18H28N4O3S/c1-3-11-25-17-15(5-4-6-16(17)23-2)14-20-21-18(26)19-7-8-22-9-12-24-13-10-22/h4-6,14H,3,7-13H2,1-2H3,(H2,19,21,26)/b20-14+.
What are the key properties of 1-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea?
1-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea has a molecular weight of 380.51 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea is sourced from PubChem (CID 110508432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).