1-(5-benzyl-1,3-thiazol-2-yl)-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea

C22H24N4O4S2 — CID 154857902

IUPAC1-(5-benzyl-1,3-thiazol-2-yl)-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea
SMILESO=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C22H24N4O4S2/c27-21(25-22-24-16-19(31-22)14-17-6-2-1-3-7-17)23-15-18-8-4-5-9-20(18)32(28,29)26-10-12-30-13-11-26/h1-9,16H,10-15H2,(H2,23,24,25,27)
InChIKeyWCYRQXMQBFEBLP-UHFFFAOYSA-N
MW472.59 g/mol
LogP3.08
Rot. Bonds7

About 1-(5-benzyl-1,3-thiazol-2-yl)-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea

1-(5-benzyl-1,3-thiazol-2-yl)-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea (PubChem CID 154857902) has the molecular formula C22H24N4O4S2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 1-(5-benzyl-1,3-thiazol-2-yl)-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(5-benzyl-1,3-thiazol-2-yl)-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea
PubChem CID154857902
Molecular FormulaC22H24N4O4S2
Molecular Weight472.59 g/mol
Exact Mass472.12
IUPAC Name1-(5-benzyl-1,3-thiazol-2-yl)-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea
SMILESO=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C22H24N4O4S2/c27-21(25-22-24-16-19(31-22)14-17-6-2-1-3-7-17)23-15-18-8-4-5-9-20(18)32(28,29)26-10-12-30-13-11-26/h1-9,16H,10-15H2,(H2,23,24,25,27)
InChIKeyWCYRQXMQBFEBLP-UHFFFAOYSA-N
XLogP3.08
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-benzyl-1,3-thiazol-2-yl)-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea?
The IUPAC name of 1-(5-benzyl-1,3-thiazol-2-yl)-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea (CID 154857902) is 1-(5-benzyl-1,3-thiazol-2-yl)-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea.
What is the SMILES notation for 1-(5-benzyl-1,3-thiazol-2-yl)-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea?
The canonical SMILES for 1-(5-benzyl-1,3-thiazol-2-yl)-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea is O=C(NCc1ccccc1S(=O)(=O)N1CCOCC1)Nc1ncc(Cc2ccccc2)s1.
What is the InChIKey of 1-(5-benzyl-1,3-thiazol-2-yl)-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea?
The InChIKey is WCYRQXMQBFEBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S2/c27-21(25-22-24-16-19(31-22)14-17-6-2-1-3-7-17)23-15-18-8-4-5-9-20(18)32(28,29)26-10-12-30-13-11-26/h1-9,16H,10-15H2,(H2,23,24,25,27).
What are the key properties of 1-(5-benzyl-1,3-thiazol-2-yl)-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea?
1-(5-benzyl-1,3-thiazol-2-yl)-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea has a molecular weight of 472.59 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzyl-1,3-thiazol-2-yl)-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea is sourced from PubChem (CID 154857902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).