1-methyl-1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-3-(4-propoxyphenyl)urea

C15H20N4O4S2 — CID 142015971

IUPAC1-methyl-1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-3-(4-propoxyphenyl)urea
SMILESCCCOc1ccc(NC(=O)N(C)c2nc(C)c(S(N)(=O)=O)s2)cc1
InChIInChI=1S/C15H20N4O4S2/c1-4-9-23-12-7-5-11(6-8-12)18-14(20)19(3)15-17-10(2)13(24-15)25(16,21)22/h5-8H,4,9H2,1-3H3,(H,18,20)(H2,16,21,22)
InChIKeyWOCNIPOZDFWWKU-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.56
Rot. Bonds6

About 1-methyl-1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-3-(4-propoxyphenyl)urea

1-methyl-1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-3-(4-propoxyphenyl)urea (PubChem CID 142015971) has the molecular formula C15H20N4O4S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-methyl-1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-3-(4-propoxyphenyl)urea.

Molecular Properties

Compound Name1-methyl-1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-3-(4-propoxyphenyl)urea
PubChem CID142015971
Molecular FormulaC15H20N4O4S2
Molecular Weight384.48 g/mol
Exact Mass384.09
IUPAC Name1-methyl-1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-3-(4-propoxyphenyl)urea
SMILESCCCOc1ccc(NC(=O)N(C)c2nc(C)c(S(N)(=O)=O)s2)cc1
InChIInChI=1S/C15H20N4O4S2/c1-4-9-23-12-7-5-11(6-8-12)18-14(20)19(3)15-17-10(2)13(24-15)25(16,21)22/h5-8H,4,9H2,1-3H3,(H,18,20)(H2,16,21,22)
InChIKeyWOCNIPOZDFWWKU-UHFFFAOYSA-N
XLogP2.56
TPSA114.62 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 ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-methyl-1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-3-(4-pyrrolidin-1-ylphenyl)urea
CID 18344787
1-[2-(dimethylamino)ethyl]-1-[5-(dimethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)urea
CID 18344657
3-(4-ethoxyphenyl)-1-(3-hydroxypropyl)-1-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]urea
CID 18344804
2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54820383
4-propoxy-N-[(4-sulfamoylphenyl)carbamothioyl]benzamide
CID 4938795
4-(4-propoxyphenoxy)benzenesulfonamide
CID 43342703
2-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]acetic acid
CID 62329042
2-(methylamino)-N-(4-propoxyphenyl)acetamide
CID 54820943
2-amino-N-(4-propoxyphenyl)propanamide
CID 62327124
3-[ethyl-[(4-propoxyphenyl)carbamoyl]amino]propanoic acid
CID 62327824
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-propoxybenzoate
CID 7211739

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-3-(4-propoxyphenyl)urea?
The IUPAC name of 1-methyl-1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-3-(4-propoxyphenyl)urea (CID 142015971) is 1-methyl-1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-3-(4-propoxyphenyl)urea.
What is the SMILES notation for 1-methyl-1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-3-(4-propoxyphenyl)urea?
The canonical SMILES for 1-methyl-1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-3-(4-propoxyphenyl)urea is CCCOc1ccc(NC(=O)N(C)c2nc(C)c(S(N)(=O)=O)s2)cc1.
What is the InChIKey of 1-methyl-1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-3-(4-propoxyphenyl)urea?
The InChIKey is WOCNIPOZDFWWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S2/c1-4-9-23-12-7-5-11(6-8-12)18-14(20)19(3)15-17-10(2)13(24-15)25(16,21)22/h5-8H,4,9H2,1-3H3,(H,18,20)(H2,16,21,22).
What are the key properties of 1-methyl-1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-3-(4-propoxyphenyl)urea?
1-methyl-1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-3-(4-propoxyphenyl)urea has a molecular weight of 384.48 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-3-(4-propoxyphenyl)urea is sourced from PubChem (CID 142015971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).