1-(4-tert-butylphenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea

C26H25N3OS — CID 121086466

IUPAC1-(4-tert-butylphenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
SMILESCC(C)(C)c1ccc(NC(=O)Nc2cccc(-c3csc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C26H25N3OS/c1-26(2,3)20-12-14-21(15-13-20)27-25(30)28-22-11-7-10-19(16-22)23-17-31-24(29-23)18-8-5-4-6-9-18/h4-17H,1-3H3,(H2,27,28,30)
InChIKeyAINZILUDGCSQKU-UHFFFAOYSA-N
MW427.57 g/mol
LogP7.42
Rot. Bonds4

About 1-(4-tert-butylphenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea

1-(4-tert-butylphenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea (PubChem CID 121086466) has the molecular formula C26H25N3OS and a molecular weight of 427.57 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
PubChem CID121086466
Molecular FormulaC26H25N3OS
Molecular Weight427.57 g/mol
Exact Mass427.17
IUPAC Name1-(4-tert-butylphenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
SMILESCC(C)(C)c1ccc(NC(=O)Nc2cccc(-c3csc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C26H25N3OS/c1-26(2,3)20-12-14-21(15-13-20)27-25(30)28-22-11-7-10-19(16-22)23-17-31-24(29-23)18-8-5-4-6-9-18/h4-17H,1-3H3,(H2,27,28,30)
InChIKeyAINZILUDGCSQKU-UHFFFAOYSA-N
XLogP7.42
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.57
LogP ≤ 57.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-tert-butylphenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]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-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286137
1-(3,4-difluorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286135
1-(3-fluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286299
1-(2-chlorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 121086468
1-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 3654278
1-(3-chloro-4-methylphenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286290
1-(4-chlorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 108780501
1-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-phenylurea
CID 108784173
1-(3,5-difluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286296
2-methyl-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748693
N-[4-[2-(3-acetamidophenyl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 122159689
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea (CID 121086466) is 1-(4-tert-butylphenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea is CC(C)(C)c1ccc(NC(=O)Nc2cccc(-c3csc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea?
The InChIKey is AINZILUDGCSQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3OS/c1-26(2,3)20-12-14-21(15-13-20)27-25(30)28-22-11-7-10-19(16-22)23-17-31-24(29-23)18-8-5-4-6-9-18/h4-17H,1-3H3,(H2,27,28,30).
What are the key properties of 1-(4-tert-butylphenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea?
1-(4-tert-butylphenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea has a molecular weight of 427.57 g/mol, XLogP of 7.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea is sourced from PubChem (CID 121086466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).