1-(2-ethylphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea

C19H24N4OS — CID 50830146

IUPAC1-(2-ethylphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea
SMILESCCc1ccccc1NC(=O)NCc1ccnc(N2CCSCC2)c1
InChIInChI=1S/C19H24N4OS/c1-2-16-5-3-4-6-17(16)22-19(24)21-14-15-7-8-20-18(13-15)23-9-11-25-12-10-23/h3-8,13H,2,9-12,14H2,1H3,(H2,21,22,24)
InChIKeyVOZHQDLCPHVBLR-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.52
Rot. Bonds5

About 1-(2-ethylphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea

1-(2-ethylphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea (PubChem CID 50830146) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea
PubChem CID50830146
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name1-(2-ethylphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea
SMILESCCc1ccccc1NC(=O)NCc1ccnc(N2CCSCC2)c1
InChIInChI=1S/C19H24N4OS/c1-2-16-5-3-4-6-17(16)22-19(24)21-14-15-7-8-20-18(13-15)23-9-11-25-12-10-23/h3-8,13H,2,9-12,14H2,1H3,(H2,21,22,24)
InChIKeyVOZHQDLCPHVBLR-UHFFFAOYSA-N
XLogP3.52
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylphenyl)-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea
CID 50830250
1-(2-fluorophenyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 24651164
1-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3-(2-pyrrolidin-1-ylphenyl)urea
CID 87003335
1-(5-chloro-2-methoxyphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea
CID 50830288
1-(2-methylsulfanylphenyl)-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea
CID 87003359
ethyl 3-phenyl-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methylcarbamoylamino]propanoate
CID 50830179
2-methyl-N-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]propan-2-amine
CID 62281237
2-(propan-2-ylcarbamoylamino)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 134004428
1-[1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea
CID 138046592
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(3-methylphenyl)urea
CID 46387376
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 53498401
1-(2-methyl-3-nitrophenyl)-3-[(2-morpholin-4-yl-4-pyridinyl)methyl]urea
CID 47032405

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea?
The IUPAC name of 1-(2-ethylphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea (CID 50830146) is 1-(2-ethylphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(2-ethylphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-(2-ethylphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea is CCc1ccccc1NC(=O)NCc1ccnc(N2CCSCC2)c1.
What is the InChIKey of 1-(2-ethylphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea?
The InChIKey is VOZHQDLCPHVBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-2-16-5-3-4-6-17(16)22-19(24)21-14-15-7-8-20-18(13-15)23-9-11-25-12-10-23/h3-8,13H,2,9-12,14H2,1H3,(H2,21,22,24).
What are the key properties of 1-(2-ethylphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea?
1-(2-ethylphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea has a molecular weight of 356.50 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea is sourced from PubChem (CID 50830146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).