1-(6-morpholin-4-yl-3-pyridinyl)-3-[5-[2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]urea

C21H26N6O3SSi — CID 72967728

IUPAC1-(6-morpholin-4-yl-3-pyridinyl)-3-[5-[2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]urea
SMILESC[Si](C)(C)c1cnc(C=Cc2cnc(NC(=O)Nc3ccc(N4CCOCC4)nc3)s2)o1
InChIInChI=1S/C21H26N6O3SSi/c1-32(2,3)19-14-23-18(30-19)7-5-16-13-24-21(31-16)26-20(28)25-15-4-6-17(22-12-15)27-8-10-29-11-9-27/h4-7,12-14H,8-11H2,1-3H3,(H2,24,25,26,28)
InChIKeyCYYFKQPJDQCCPJ-UHFFFAOYSA-N
MW470.63 g/mol
LogP3.72
Rot. Bonds6

About 1-(6-morpholin-4-yl-3-pyridinyl)-3-[5-[2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]urea

1-(6-morpholin-4-yl-3-pyridinyl)-3-[5-[2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]urea (PubChem CID 72967728) has the molecular formula C21H26N6O3SSi and a molecular weight of 470.63 g/mol. Its IUPAC name is 1-(6-morpholin-4-yl-3-pyridinyl)-3-[5-[2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(6-morpholin-4-yl-3-pyridinyl)-3-[5-[2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]urea
PubChem CID72967728
Molecular FormulaC21H26N6O3SSi
Molecular Weight470.63 g/mol
Exact Mass470.16
IUPAC Name1-(6-morpholin-4-yl-3-pyridinyl)-3-[5-[2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]urea
SMILESC[Si](C)(C)c1cnc(C=Cc2cnc(NC(=O)Nc3ccc(N4CCOCC4)nc3)s2)o1
InChIInChI=1S/C21H26N6O3SSi/c1-32(2,3)19-14-23-18(30-19)7-5-16-13-24-21(31-16)26-20(28)25-15-4-6-17(22-12-15)27-8-10-29-11-9-27/h4-7,12-14H,8-11H2,1-3H3,(H2,24,25,26,28)
InChIKeyCYYFKQPJDQCCPJ-UHFFFAOYSA-N
XLogP3.72
TPSA105.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.63
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-(6-morpholin-4-yl-3-pyridinyl)-3-[5-[2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]urea with MolForge

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Launch Full Analysis

Related Compounds

1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47162241
2,2-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 11391397
2-piperazin-1-yl-N-[5-[(E)-2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]acetamide
CID 11474814
1-(6-morpholin-4-yl-3-pyridinyl)-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 47716208
N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 43699902
3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 62229953
1-(2-hydroxypropyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47221090
1-[(2R)-1-hydroxy-2-methylbutan-2-yl]-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 95772331
2,5-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)thiophene-3-carboxamide
CID 18158652
2-amino-N-(6-morpholin-4-yl-3-pyridinyl)-2-phenylpropanamide;dihydrochloride
CID 120595013
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 48795694
1-[(2S)-2-hydroxy-2-methylbutyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 95156925

Frequently Asked Questions

What is the IUPAC name of 1-(6-morpholin-4-yl-3-pyridinyl)-3-[5-[2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(6-morpholin-4-yl-3-pyridinyl)-3-[5-[2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]urea (CID 72967728) is 1-(6-morpholin-4-yl-3-pyridinyl)-3-[5-[2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(6-morpholin-4-yl-3-pyridinyl)-3-[5-[2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(6-morpholin-4-yl-3-pyridinyl)-3-[5-[2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]urea is C[Si](C)(C)c1cnc(C=Cc2cnc(NC(=O)Nc3ccc(N4CCOCC4)nc3)s2)o1.
What is the InChIKey of 1-(6-morpholin-4-yl-3-pyridinyl)-3-[5-[2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]urea?
The InChIKey is CYYFKQPJDQCCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3SSi/c1-32(2,3)19-14-23-18(30-19)7-5-16-13-24-21(31-16)26-20(28)25-15-4-6-17(22-12-15)27-8-10-29-11-9-27/h4-7,12-14H,8-11H2,1-3H3,(H2,24,25,26,28).
What are the key properties of 1-(6-morpholin-4-yl-3-pyridinyl)-3-[5-[2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]urea?
1-(6-morpholin-4-yl-3-pyridinyl)-3-[5-[2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]urea has a molecular weight of 470.63 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-morpholin-4-yl-3-pyridinyl)-3-[5-[2-(5-trimethylsilyl-1,3-oxazol-2-yl)ethenyl]-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 72967728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).