[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]thiourea

C15H22N4O3S — CID 168535434

IUPAC[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]thiourea
SMILESCOc1cccc(C=NNC(N)=S)c1OCCN1CCOCC1
InChIInChI=1S/C15H22N4O3S/c1-20-13-4-2-3-12(11-17-18-15(16)23)14(13)22-10-7-19-5-8-21-9-6-19/h2-4,11H,5-10H2,1H3,(H3,16,18,23)
InChIKeyROAYURRFNBFOAW-UHFFFAOYSA-N
MW338.43 g/mol
LogP0.57
Rot. Bonds7

About [[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]thiourea

[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]thiourea (PubChem CID 168535434) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is [[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]thiourea.

Molecular Properties

Compound Name[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]thiourea
PubChem CID168535434
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Name[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]thiourea
SMILESCOc1cccc(C=NNC(N)=S)c1OCCN1CCOCC1
InChIInChI=1S/C15H22N4O3S/c1-20-13-4-2-3-12(11-17-18-15(16)23)14(13)22-10-7-19-5-8-21-9-6-19/h2-4,11H,5-10H2,1H3,(H3,16,18,23)
InChIKeyROAYURRFNBFOAW-UHFFFAOYSA-N
XLogP0.57
TPSA81.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.57
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 [[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]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

2-[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]guanidine
CID 168592427
1-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 110508432
N-[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]aniline
CID 169383017
[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methylideneamino]thiourea
CID 168535446
methyl 2-[2-[(Z)-(carbamothioylhydrazinylidene)methyl]-6-methoxyphenoxy]acetate
CID 71669999
4-[[2-[(Z)-(carbamothioylhydrazinylidene)methyl]-6-methoxyphenoxy]methyl]benzoic acid
CID 126193703
[[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea
CID 168534891
3-methoxy-2-(2-morpholin-4-ylethoxy)benzonitrile
CID 22685973
[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea
CID 168535031
[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]urea
CID 168532539
[[2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]methylideneamino]urea
CID 168533023
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5426268

Frequently Asked Questions

What is the IUPAC name of [[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]thiourea?
The IUPAC name of [[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]thiourea (CID 168535434) is [[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]thiourea.
What is the SMILES notation for [[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]thiourea?
The canonical SMILES for [[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]thiourea is COc1cccc(C=NNC(N)=S)c1OCCN1CCOCC1.
What is the InChIKey of [[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]thiourea?
The InChIKey is ROAYURRFNBFOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-20-13-4-2-3-12(11-17-18-15(16)23)14(13)22-10-7-19-5-8-21-9-6-19/h2-4,11H,5-10H2,1H3,(H3,16,18,23).
What are the key properties of [[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]thiourea?
[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]thiourea has a molecular weight of 338.43 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]thiourea is sourced from PubChem (CID 168535434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).