1-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-[(4-sulfamoylphenyl)methyl]urea

C19H19FN4O3S2 — CID 112825214

IUPAC1-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-[(4-sulfamoylphenyl)methyl]urea
SMILESCc1ccc(Cc2cnc(NC(=O)NCc3ccc(S(N)(=O)=O)cc3)s2)cc1F
InChIInChI=1S/C19H19FN4O3S2/c1-12-2-3-14(9-17(12)20)8-15-11-23-19(28-15)24-18(25)22-10-13-4-6-16(7-5-13)29(21,26)27/h2-7,9,11H,8,10H2,1H3,(H2,21,26,27)(H2,22,23,24,25)
InChIKeyDONUFFPLGBCGKP-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.15
Rot. Bonds6

About 1-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-[(4-sulfamoylphenyl)methyl]urea

1-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-[(4-sulfamoylphenyl)methyl]urea (PubChem CID 112825214) has the molecular formula C19H19FN4O3S2 and a molecular weight of 434.52 g/mol. Its IUPAC name is 1-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-[(4-sulfamoylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-[(4-sulfamoylphenyl)methyl]urea
PubChem CID112825214
Molecular FormulaC19H19FN4O3S2
Molecular Weight434.52 g/mol
Exact Mass434.09
IUPAC Name1-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-[(4-sulfamoylphenyl)methyl]urea
SMILESCc1ccc(Cc2cnc(NC(=O)NCc3ccc(S(N)(=O)=O)cc3)s2)cc1F
InChIInChI=1S/C19H19FN4O3S2/c1-12-2-3-14(9-17(12)20)8-15-11-23-19(28-15)24-18(25)22-10-13-4-6-16(7-5-13)29(21,26)27/h2-7,9,11H,8,10H2,1H3,(H2,21,26,27)(H2,22,23,24,25)
InChIKeyDONUFFPLGBCGKP-UHFFFAOYSA-N
XLogP3.15
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-[(4-sulfamoylphenyl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-Phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 90145399
US10913733, Example 17
CID 137361491
PF-06526290
CID 134611890
1-[(2-Fluorophenyl)methyl]-3-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]urea
CID 72155209
N,N-dibenzyl-4-[2-(4-fluoroanilino)-1,3-thiazol-5-yl]benzenesulfonamide
CID 139217187
N,N-dibenzyl-4-[2-(cyclohexylamino)-1,3-thiazol-5-yl]benzenesulfonamide
CID 139217192
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 25497506
4-methylsulfonyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 25501653
N-[5-[(4-cyanophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 42942372
1-[5-(3-Fluoro-4-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]-3-(pyridin-4-ylmethyl)urea
CID 11430087
2-fluoro-4-(4-fluorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 11485390
3-[5-(3-Fluorophenyl)-1,3-thiazol-2-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 20829921

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-[(4-sulfamoylphenyl)methyl]urea?
The IUPAC name of 1-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-[(4-sulfamoylphenyl)methyl]urea (CID 112825214) is 1-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-[(4-sulfamoylphenyl)methyl]urea.
What is the SMILES notation for 1-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-[(4-sulfamoylphenyl)methyl]urea?
The canonical SMILES for 1-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-[(4-sulfamoylphenyl)methyl]urea is Cc1ccc(Cc2cnc(NC(=O)NCc3ccc(S(N)(=O)=O)cc3)s2)cc1F.
What is the InChIKey of 1-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-[(4-sulfamoylphenyl)methyl]urea?
The InChIKey is DONUFFPLGBCGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3S2/c1-12-2-3-14(9-17(12)20)8-15-11-23-19(28-15)24-18(25)22-10-13-4-6-16(7-5-13)29(21,26)27/h2-7,9,11H,8,10H2,1H3,(H2,21,26,27)(H2,22,23,24,25).
What are the key properties of 1-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-[(4-sulfamoylphenyl)methyl]urea?
1-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-[(4-sulfamoylphenyl)methyl]urea has a molecular weight of 434.52 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-[(4-sulfamoylphenyl)methyl]urea is sourced from PubChem (CID 112825214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).