1-(2-morpholin-4-ylethyl)-3-[(Z)-1-phenylethylideneamino]thiourea

C15H22N4OS — CID 7934135

IUPAC1-(2-morpholin-4-ylethyl)-3-[(Z)-1-phenylethylideneamino]thiourea
SMILESC/C(=N/NC(=S)NCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C15H22N4OS/c1-13(14-5-3-2-4-6-14)17-18-15(21)16-7-8-19-9-11-20-12-10-19/h2-6H,7-12H2,1H3,(H2,16,18,21)/b17-13-
InChIKeyAZNVDUUPEBHJAG-LGMDPLHJSA-N
MW306.43 g/mol
LogP1.21
Rot. Bonds5

About 1-(2-morpholin-4-ylethyl)-3-[(Z)-1-phenylethylideneamino]thiourea

1-(2-morpholin-4-ylethyl)-3-[(Z)-1-phenylethylideneamino]thiourea (PubChem CID 7934135) has the molecular formula C15H22N4OS and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-3-[(Z)-1-phenylethylideneamino]thiourea.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-3-[(Z)-1-phenylethylideneamino]thiourea
PubChem CID7934135
Molecular FormulaC15H22N4OS
Molecular Weight306.43 g/mol
Exact Mass306.15
IUPAC Name1-(2-morpholin-4-ylethyl)-3-[(Z)-1-phenylethylideneamino]thiourea
SMILESC/C(=N/NC(=S)NCCN1CCOCC1)c1ccccc1
InChIInChI=1S/C15H22N4OS/c1-13(14-5-3-2-4-6-14)17-18-15(21)16-7-8-19-9-11-20-12-10-19/h2-6H,7-12H2,1H3,(H2,16,18,21)/b17-13-
InChIKeyAZNVDUUPEBHJAG-LGMDPLHJSA-N
XLogP1.21
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

1-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 22830947
1-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 9257800
1-(3-morpholin-4-ylpropyl)-3-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]thiourea
CID 9257772
1-[(Z)-1-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]ethylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 6382816
1-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 9411591
1-(3-morpholin-4-ylpropyl)-3-[(Z)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethylideneamino]thiourea
CID 29169323
1-[(E)-[(E)-1,3-diphenylprop-2-enylidene]amino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 9411302
1-[(2-iodophenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 2402954
N-(2-morpholin-4-ylethyl)-2-[(Z)-1-phenylethylideneamino]oxyacetamide
CID 6518108
1-(2-methoxyethyl)-3-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]thiourea
CID 7934521
1-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 9147403
1-(2-methoxyethyl)-3-[(Z)-1-phenylethylideneamino]thiourea
CID 6038171

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-3-[(Z)-1-phenylethylideneamino]thiourea?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-3-[(Z)-1-phenylethylideneamino]thiourea (CID 7934135) is 1-(2-morpholin-4-ylethyl)-3-[(Z)-1-phenylethylideneamino]thiourea.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-3-[(Z)-1-phenylethylideneamino]thiourea?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-3-[(Z)-1-phenylethylideneamino]thiourea is C/C(=N/NC(=S)NCCN1CCOCC1)c1ccccc1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-3-[(Z)-1-phenylethylideneamino]thiourea?
The InChIKey is AZNVDUUPEBHJAG-LGMDPLHJSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-13(14-5-3-2-4-6-14)17-18-15(21)16-7-8-19-9-11-20-12-10-19/h2-6H,7-12H2,1H3,(H2,16,18,21)/b17-13-.
What are the key properties of 1-(2-morpholin-4-ylethyl)-3-[(Z)-1-phenylethylideneamino]thiourea?
1-(2-morpholin-4-ylethyl)-3-[(Z)-1-phenylethylideneamino]thiourea has a molecular weight of 306.43 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-3-[(Z)-1-phenylethylideneamino]thiourea is sourced from PubChem (CID 7934135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).