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

C17H24N4O5S2 — CID 18344804

IUPAC3-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea
SMILESCCOc1ccc(NC(=O)N(CCCO)c2nc(C)c(S(=O)(=O)NC)s2)cc1
InChIInChI=1S/C17H24N4O5S2/c1-4-26-14-8-6-13(7-9-14)20-16(23)21(10-5-11-22)17-19-12(2)15(27-17)28(24,25)18-3/h6-9,18,22H,4-5,10-11H2,1-3H3,(H,20,23)
InChIKeySCHOSGOECUVIPA-UHFFFAOYSA-N
MW428.54 g/mol
LogP2.18
Rot. Bonds9

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

3-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea (PubChem CID 18344804) has the molecular formula C17H24N4O5S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea
PubChem CID18344804
Molecular FormulaC17H24N4O5S2
Molecular Weight428.54 g/mol
Exact Mass428.12
IUPAC Name3-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea
SMILESCCOc1ccc(NC(=O)N(CCCO)c2nc(C)c(S(=O)(=O)NC)s2)cc1
InChIInChI=1S/C17H24N4O5S2/c1-4-26-14-8-6-13(7-9-14)20-16(23)21(10-5-11-22)17-19-12(2)15(27-17)28(24,25)18-3/h6-9,18,22H,4-5,10-11H2,1-3H3,(H,20,23)
InChIKeySCHOSGOECUVIPA-UHFFFAOYSA-N
XLogP2.18
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-ethoxyphenyl)-1-methyl-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea
CID 18344825
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-[2-(dimethylamino)ethyl]-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-3-(4-pyrrolidin-1-ylphenyl)urea
CID 18344654
1-(2-methoxyethyl)-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-3-(4-morpholin-4-ylphenyl)urea
CID 18344662
1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]urea
CID 18344757
1-methyl-1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-3-(4-propoxyphenyl)urea
CID 142015971
1-(4-ethoxyphenyl)-3-[4-(methylsulfamoyl)phenyl]urea
CID 971008
N-(4-ethoxyphenyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 110696380
N-(4-ethoxyphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297742
3-(4-ethoxyphenyl)-1-(4-phenoxyphenyl)-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propyl]urea
CID 42707086
1-amino-3-(4-ethoxyphenyl)-1-methylurea
CID 154129806

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 3-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea (CID 18344804) is 3-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 3-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 3-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea is CCOc1ccc(NC(=O)N(CCCO)c2nc(C)c(S(=O)(=O)NC)s2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea?
The InChIKey is SCHOSGOECUVIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O5S2/c1-4-26-14-8-6-13(7-9-14)20-16(23)21(10-5-11-22)17-19-12(2)15(27-17)28(24,25)18-3/h6-9,18,22H,4-5,10-11H2,1-3H3,(H,20,23).
What are the key properties of 3-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea?
3-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea has a molecular weight of 428.54 g/mol, XLogP of 2.18, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 18344804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).