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

C17H23N5O4S2 — CID 142015956

IUPAC1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylphenyl)urea
SMILESCc1nc(NC(=O)Nc2ccc(N3CCOCC3)cc2)sc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H23N5O4S2/c1-12-15(28(24,25)21(2)3)27-17(18-12)20-16(23)19-13-4-6-14(7-5-13)22-8-10-26-11-9-22/h4-7H,8-11H2,1-3H3,(H2,18,19,20,23)
InChIKeyUGVQMCQPVQVLPA-UHFFFAOYSA-N
MW425.54 g/mol
LogP2.18
Rot. Bonds5

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

1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylphenyl)urea (PubChem CID 142015956) has the molecular formula C17H23N5O4S2 and a molecular weight of 425.54 g/mol. Its IUPAC name is 1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylphenyl)urea.

Molecular Properties

Compound Name1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylphenyl)urea
PubChem CID142015956
Molecular FormulaC17H23N5O4S2
Molecular Weight425.54 g/mol
Exact Mass425.12
IUPAC Name1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylphenyl)urea
SMILESCc1nc(NC(=O)Nc2ccc(N3CCOCC3)cc2)sc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H23N5O4S2/c1-12-15(28(24,25)21(2)3)27-17(18-12)20-16(23)19-13-4-6-14(7-5-13)22-8-10-26-11-9-22/h4-7H,8-11H2,1-3H3,(H2,18,19,20,23)
InChIKeyUGVQMCQPVQVLPA-UHFFFAOYSA-N
XLogP2.18
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylphenyl)urea?
The IUPAC name of 1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylphenyl)urea (CID 142015956) is 1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylphenyl)urea.
What is the SMILES notation for 1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylphenyl)urea?
The canonical SMILES for 1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylphenyl)urea is Cc1nc(NC(=O)Nc2ccc(N3CCOCC3)cc2)sc1S(=O)(=O)N(C)C.
What is the InChIKey of 1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylphenyl)urea?
The InChIKey is UGVQMCQPVQVLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O4S2/c1-12-15(28(24,25)21(2)3)27-17(18-12)20-16(23)19-13-4-6-14(7-5-13)22-8-10-26-11-9-22/h4-7H,8-11H2,1-3H3,(H2,18,19,20,23).
What are the key properties of 1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylphenyl)urea?
1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylphenyl)urea has a molecular weight of 425.54 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylphenyl)urea is sourced from PubChem (CID 142015956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).