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

C15H20N4O4S2 — CID 18344825

IUPAC3-(4-ethoxyphenyl)-1-methyl-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea
SMILESCCOc1ccc(NC(=O)N(C)c2nc(C)c(S(=O)(=O)NC)s2)cc1
InChIInChI=1S/C15H20N4O4S2/c1-5-23-12-8-6-11(7-9-12)18-14(20)19(4)15-17-10(2)13(24-15)25(21,22)16-3/h6-9,16H,5H2,1-4H3,(H,18,20)
InChIKeyWTBKCADXZJNDHY-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.43
Rot. Bonds6

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

3-(4-ethoxyphenyl)-1-methyl-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea (PubChem CID 18344825) has the molecular formula C15H20N4O4S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-1-methyl-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-1-methyl-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea
PubChem CID18344825
Molecular FormulaC15H20N4O4S2
Molecular Weight384.48 g/mol
Exact Mass384.09
IUPAC Name3-(4-ethoxyphenyl)-1-methyl-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea
SMILESCCOc1ccc(NC(=O)N(C)c2nc(C)c(S(=O)(=O)NC)s2)cc1
InChIInChI=1S/C15H20N4O4S2/c1-5-23-12-8-6-11(7-9-12)18-14(20)19(4)15-17-10(2)13(24-15)25(21,22)16-3/h6-9,16H,5H2,1-4H3,(H,18,20)
InChIKeyWTBKCADXZJNDHY-UHFFFAOYSA-N
XLogP2.43
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea
CID 18344804
1-methyl-1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-3-(4-propoxyphenyl)urea
CID 142015971
1-[2-(dimethylamino)ethyl]-1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)urea
CID 18344657
1-[5-(benzylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)-1-(2-phenylethyl)urea
CID 18344727
1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 18344757
1-[2-(dimethylamino)ethyl]-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-3-(4-pyrrolidin-1-ylphenyl)urea
CID 18344654
1-(4-ethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]urea
CID 971008
N-(4-ethoxyphenyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 110696380
1-amino-3-(4-ethoxyphenyl)-1-methylurea
CID 154129806
1-(2-methoxyethyl)-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylphenyl)urea
CID 18344662
N-(4-ethoxyphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297742
2-[(4-ethoxyphenyl)carbamoyl-methylamino]acetic acid
CID 43318374

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-1-methyl-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 3-(4-ethoxyphenyl)-1-methyl-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea (CID 18344825) is 3-(4-ethoxyphenyl)-1-methyl-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 3-(4-ethoxyphenyl)-1-methyl-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 3-(4-ethoxyphenyl)-1-methyl-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea is CCOc1ccc(NC(=O)N(C)c2nc(C)c(S(=O)(=O)NC)s2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-1-methyl-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea?
The InChIKey is WTBKCADXZJNDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S2/c1-5-23-12-8-6-11(7-9-12)18-14(20)19(4)15-17-10(2)13(24-15)25(21,22)16-3/h6-9,16H,5H2,1-4H3,(H,18,20).
What are the key properties of 3-(4-ethoxyphenyl)-1-methyl-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea?
3-(4-ethoxyphenyl)-1-methyl-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea has a molecular weight of 384.48 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-1-methyl-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 18344825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).