[(Z)-[2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-phenylethylidene]amino]urea

C15H18N6O3S — CID 42426581

IUPAC[(Z)-[2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-phenylethylidene]amino]urea
SMILESNC(=O)N/N=C(\COc1nsnc1N1CCOCC1)c1ccccc1
InChIInChI=1S/C15H18N6O3S/c16-15(22)18-17-12(11-4-2-1-3-5-11)10-24-14-13(19-25-20-14)21-6-8-23-9-7-21/h1-5H,6-10H2,(H3,16,18,22)/b17-12+
InChIKeyJBAGDODEFIJSPD-SFQUDFHCSA-N
MW362.42 g/mol
LogP0.83
Rot. Bonds6

About [(Z)-[2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-phenylethylidene]amino]urea

[(Z)-[2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-phenylethylidene]amino]urea (PubChem CID 42426581) has the molecular formula C15H18N6O3S and a molecular weight of 362.42 g/mol. Its IUPAC name is [(Z)-[2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-phenylethylidene]amino]urea.

Molecular Properties

Compound Name[(Z)-[2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-phenylethylidene]amino]urea
PubChem CID42426581
Molecular FormulaC15H18N6O3S
Molecular Weight362.42 g/mol
Exact Mass362.12
IUPAC Name[(Z)-[2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-phenylethylidene]amino]urea
SMILESNC(=O)N/N=C(\COc1nsnc1N1CCOCC1)c1ccccc1
InChIInChI=1S/C15H18N6O3S/c16-15(22)18-17-12(11-4-2-1-3-5-11)10-24-14-13(19-25-20-14)21-6-8-23-9-7-21/h1-5H,6-10H2,(H3,16,18,22)/b17-12+
InChIKeyJBAGDODEFIJSPD-SFQUDFHCSA-N
XLogP0.83
TPSA114.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-[2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-phenylethylidene]amino]-2,4-dinitroaniline
CID 16643988
methyl 2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]acetate
CID 666373
2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 5298728
(Z)-but-2-enedioic acid;[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] benzoate
CID 45267146
4-(4-benzhydryloxy-1,2,5-thiadiazol-3-yl)morpholine
CID 43949546
1-amino-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
CID 18984519
(E)-4-benzoyloxy-4-oxobut-2-enoic acid;(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
CID 88622524
methyl 2-(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)-4-phenylbutanoate
CID 46867268
(2S)-1-chloro-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
CID 11448848
(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl) (3S)-3-(1,3-dioxoisoindol-2-yl)-3-(4-methoxyphenyl)propanoate
CID 42588560
4-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1,2,5-thiadiazol-3-yl]morpholine
CID 20930528
(2R)-1-(ethylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol
CID 76968009

Frequently Asked Questions

What is the IUPAC name of [(Z)-[2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-phenylethylidene]amino]urea?
The IUPAC name of [(Z)-[2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-phenylethylidene]amino]urea (CID 42426581) is [(Z)-[2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-phenylethylidene]amino]urea.
What is the SMILES notation for [(Z)-[2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-phenylethylidene]amino]urea?
The canonical SMILES for [(Z)-[2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-phenylethylidene]amino]urea is NC(=O)N/N=C(\COc1nsnc1N1CCOCC1)c1ccccc1.
What is the InChIKey of [(Z)-[2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-phenylethylidene]amino]urea?
The InChIKey is JBAGDODEFIJSPD-SFQUDFHCSA-N. The full InChI is InChI=1S/C15H18N6O3S/c16-15(22)18-17-12(11-4-2-1-3-5-11)10-24-14-13(19-25-20-14)21-6-8-23-9-7-21/h1-5H,6-10H2,(H3,16,18,22)/b17-12+.
What are the key properties of [(Z)-[2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-phenylethylidene]amino]urea?
[(Z)-[2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-phenylethylidene]amino]urea has a molecular weight of 362.42 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[2-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]-1-phenylethylidene]amino]urea is sourced from PubChem (CID 42426581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).