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

C20H20BrN3OS — CID 17217819

IUPAC1-(2-bromophenyl)-3-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]urea
SMILESCC(C)(C)c1ccc(-c2csc(NC(=O)Nc3ccccc3Br)n2)cc1
InChIInChI=1S/C20H20BrN3OS/c1-20(2,3)14-10-8-13(9-11-14)17-12-26-19(23-17)24-18(25)22-16-7-5-4-6-15(16)21/h4-12H,1-3H3,(H2,22,23,24,25)
InChIKeyOLJZCSBICXJEBC-UHFFFAOYSA-N
MW430.37 g/mol
LogP6.51
Rot. Bonds3

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

1-(2-bromophenyl)-3-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]urea (PubChem CID 17217819) has the molecular formula C20H20BrN3OS and a molecular weight of 430.37 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]urea
PubChem CID17217819
Molecular FormulaC20H20BrN3OS
Molecular Weight430.37 g/mol
Exact Mass429.05
IUPAC Name1-(2-bromophenyl)-3-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]urea
SMILESCC(C)(C)c1ccc(-c2csc(NC(=O)Nc3ccccc3Br)n2)cc1
InChIInChI=1S/C20H20BrN3OS/c1-20(2,3)14-10-8-13(9-11-14)17-12-26-19(23-17)24-18(25)22-16-7-5-4-6-15(16)21/h4-12H,1-3H3,(H2,22,23,24,25)
InChIKeyOLJZCSBICXJEBC-UHFFFAOYSA-N
XLogP6.51
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.37
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 17217807
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
5-bromo-N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 4609564
N,N'-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]hexanediamide
CID 3376652
2-N,5-N-bis[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
CID 4295617
N-[4-[2-[(2-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]phenyl]acetamide
CID 4799137
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2-methoxyacetamide
CID 51185945
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 4232837
1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 4274968
2-(4-tert-butylphenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178615
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
CID 4120073
[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 4-tert-butylbenzoate
CID 4689295

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(2-bromophenyl)-3-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]urea (CID 17217819) is 1-(2-bromophenyl)-3-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(2-bromophenyl)-3-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]urea is CC(C)(C)c1ccc(-c2csc(NC(=O)Nc3ccccc3Br)n2)cc1.
What is the InChIKey of 1-(2-bromophenyl)-3-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]urea?
The InChIKey is OLJZCSBICXJEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3OS/c1-20(2,3)14-10-8-13(9-11-14)17-12-26-19(23-17)24-18(25)22-16-7-5-4-6-15(16)21/h4-12H,1-3H3,(H2,22,23,24,25).
What are the key properties of 1-(2-bromophenyl)-3-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]urea?
1-(2-bromophenyl)-3-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]urea has a molecular weight of 430.37 g/mol, XLogP of 6.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 17217819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).