1-(2-methoxyethyl)-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylphenyl)urea

C19H27N5O5S2 — CID 18344662

IUPAC1-(2-methoxyethyl)-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylphenyl)urea
SMILESCNS(=O)(=O)c1sc(N(CCOC)C(=O)Nc2ccc(N3CCOCC3)cc2)nc1C
InChIInChI=1S/C19H27N5O5S2/c1-14-17(31(26,27)20-2)30-19(21-14)24(10-11-28-3)18(25)22-15-4-6-16(7-5-15)23-8-12-29-13-9-23/h4-7,20H,8-13H2,1-3H3,(H,22,25)
InChIKeyWCJQJJRRQVLUSU-UHFFFAOYSA-N
MW469.59 g/mol
LogP1.88
Rot. Bonds8

About 1-(2-methoxyethyl)-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylphenyl)urea

1-(2-methoxyethyl)-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylphenyl)urea (PubChem CID 18344662) has the molecular formula C19H27N5O5S2 and a molecular weight of 469.59 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylphenyl)urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylphenyl)urea
PubChem CID18344662
Molecular FormulaC19H27N5O5S2
Molecular Weight469.59 g/mol
Exact Mass469.15
IUPAC Name1-(2-methoxyethyl)-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylphenyl)urea
SMILESCNS(=O)(=O)c1sc(N(CCOC)C(=O)Nc2ccc(N3CCOCC3)cc2)nc1C
InChIInChI=1S/C19H27N5O5S2/c1-14-17(31(26,27)20-2)30-19(21-14)24(10-11-28-3)18(25)22-15-4-6-16(7-5-15)23-8-12-29-13-9-23/h4-7,20H,8-13H2,1-3H3,(H,22,25)
InChIKeyWCJQJJRRQVLUSU-UHFFFAOYSA-N
XLogP1.88
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylphenyl)urea?
The IUPAC name of 1-(2-methoxyethyl)-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylphenyl)urea (CID 18344662) is 1-(2-methoxyethyl)-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylphenyl)urea.
What is the SMILES notation for 1-(2-methoxyethyl)-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylphenyl)urea?
The canonical SMILES for 1-(2-methoxyethyl)-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylphenyl)urea is CNS(=O)(=O)c1sc(N(CCOC)C(=O)Nc2ccc(N3CCOCC3)cc2)nc1C.
What is the InChIKey of 1-(2-methoxyethyl)-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylphenyl)urea?
The InChIKey is WCJQJJRRQVLUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O5S2/c1-14-17(31(26,27)20-2)30-19(21-14)24(10-11-28-3)18(25)22-15-4-6-16(7-5-15)23-8-12-29-13-9-23/h4-7,20H,8-13H2,1-3H3,(H,22,25).
What are the key properties of 1-(2-methoxyethyl)-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylphenyl)urea?
1-(2-methoxyethyl)-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylphenyl)urea has a molecular weight of 469.59 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylphenyl)urea is sourced from PubChem (CID 18344662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).