1-(2,5-dimethylphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea

C19H24N4OS — CID 50830254

IUPAC1-(2,5-dimethylphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea
SMILESCc1ccc(C)c(NC(=O)NCc2ccnc(N3CCSCC3)c2)c1
InChIInChI=1S/C19H24N4OS/c1-14-3-4-15(2)17(11-14)22-19(24)21-13-16-5-6-20-18(12-16)23-7-9-25-10-8-23/h3-6,11-12H,7-10,13H2,1-2H3,(H2,21,22,24)
InChIKeyWUWBNEXEBNPVSL-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.57
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea

1-(2,5-dimethylphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea (PubChem CID 50830254) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea
PubChem CID50830254
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name1-(2,5-dimethylphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea
SMILESCc1ccc(C)c(NC(=O)NCc2ccnc(N3CCSCC3)c2)c1
InChIInChI=1S/C19H24N4OS/c1-14-3-4-15(2)17(11-14)22-19(24)21-13-16-5-6-20-18(12-16)23-7-9-25-10-8-23/h3-6,11-12H,7-10,13H2,1-2H3,(H2,21,22,24)
InChIKeyWUWBNEXEBNPVSL-UHFFFAOYSA-N
XLogP3.57
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea (CID 50830254) is 1-(2,5-dimethylphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea is Cc1ccc(C)c(NC(=O)NCc2ccnc(N3CCSCC3)c2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea?
The InChIKey is WUWBNEXEBNPVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-14-3-4-15(2)17(11-14)22-19(24)21-13-16-5-6-20-18(12-16)23-7-9-25-10-8-23/h3-6,11-12H,7-10,13H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-(2,5-dimethylphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea?
1-(2,5-dimethylphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea has a molecular weight of 356.50 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea is sourced from PubChem (CID 50830254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).