1-[2-methyl-4-(2-trimethylsilylpropan-2-yloxy)phenyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea

C18H24F3N3O2SSi — CID 87982344

IUPAC1-[2-methyl-4-(2-trimethylsilylpropan-2-yloxy)phenyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
SMILESCc1cc(OC(C)(C)[Si](C)(C)C)ccc1NC(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C18H24F3N3O2SSi/c1-11-9-12(26-17(2,3)28(4,5)6)7-8-13(11)22-15(25)24-16-23-14(10-27-16)18(19,20)21/h7-10H,1-6H3,(H2,22,23,24,25)
InChIKeyUXLAMHMMTWSKJP-UHFFFAOYSA-N
MW431.56 g/mol
LogP6.15
Rot. Bonds5

About 1-[2-methyl-4-(2-trimethylsilylpropan-2-yloxy)phenyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea

1-[2-methyl-4-(2-trimethylsilylpropan-2-yloxy)phenyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea (PubChem CID 87982344) has the molecular formula C18H24F3N3O2SSi and a molecular weight of 431.56 g/mol. Its IUPAC name is 1-[2-methyl-4-(2-trimethylsilylpropan-2-yloxy)phenyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-[2-methyl-4-(2-trimethylsilylpropan-2-yloxy)phenyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
PubChem CID87982344
Molecular FormulaC18H24F3N3O2SSi
Molecular Weight431.56 g/mol
Exact Mass431.13
IUPAC Name1-[2-methyl-4-(2-trimethylsilylpropan-2-yloxy)phenyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
SMILESCc1cc(OC(C)(C)[Si](C)(C)C)ccc1NC(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C18H24F3N3O2SSi/c1-11-9-12(26-17(2,3)28(4,5)6)7-8-13(11)22-15(25)24-16-23-14(10-27-16)18(19,20)21/h7-10H,1-6H3,(H2,22,23,24,25)
InChIKeyUXLAMHMMTWSKJP-UHFFFAOYSA-N
XLogP6.15
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.56
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-[2-methyl-4-(2-trimethylsilylpropan-2-yloxy)phenyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]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-[4-(3-Methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 929876
4-(3-methoxyphenyl)-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
CID 51360480
1-(4-Methoxyphenyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 44423266
1-[4-[Amino(phenyl)methyl]-1,3-thiazol-2-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 46942689
1-[4-[Amino(cyclohexyl)methyl]-1,3-thiazol-2-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 46948169
1-[4-(1-Amino-2-methylpropyl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 49778211
1-[4-[1-Amino-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)urea
CID 49786598
1-[4-(1-Amino-3-methylbutyl)-1,3-thiazol-2-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 155548454
1-[4-[1-Amino-2-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 155548985
1-(4-Ethoxyphenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea
CID 4684624
1-(4-(2,5-Dimethoxyphenyl)thiazol-2-yl)-3-(2-(trifluoromethyl)phenyl)urea
CID 45503707
1-(4-Methoxy-2-methylphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
CID 71857869

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-(2-trimethylsilylpropan-2-yloxy)phenyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-[2-methyl-4-(2-trimethylsilylpropan-2-yloxy)phenyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea (CID 87982344) is 1-[2-methyl-4-(2-trimethylsilylpropan-2-yloxy)phenyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-[2-methyl-4-(2-trimethylsilylpropan-2-yloxy)phenyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-[2-methyl-4-(2-trimethylsilylpropan-2-yloxy)phenyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea is Cc1cc(OC(C)(C)[Si](C)(C)C)ccc1NC(=O)Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of 1-[2-methyl-4-(2-trimethylsilylpropan-2-yloxy)phenyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
The InChIKey is UXLAMHMMTWSKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O2SSi/c1-11-9-12(26-17(2,3)28(4,5)6)7-8-13(11)22-15(25)24-16-23-14(10-27-16)18(19,20)21/h7-10H,1-6H3,(H2,22,23,24,25).
What are the key properties of 1-[2-methyl-4-(2-trimethylsilylpropan-2-yloxy)phenyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea?
1-[2-methyl-4-(2-trimethylsilylpropan-2-yloxy)phenyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea has a molecular weight of 431.56 g/mol, XLogP of 6.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(2-trimethylsilylpropan-2-yloxy)phenyl]-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 87982344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).