1-(2-bromophenyl)-3-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]urea

C20H20BrN3OS — CID 17217985

IUPAC1-(2-bromophenyl)-3-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]urea
SMILESCc1sc(NC(=O)Nc2ccccc2Br)nc1-c1ccc(C(C)C)cc1
InChIInChI=1S/C20H20BrN3OS/c1-12(2)14-8-10-15(11-9-14)18-13(3)26-20(23-18)24-19(25)22-17-7-5-4-6-16(17)21/h4-12H,1-3H3,(H2,22,23,24,25)
InChIKeyNPRCLOVLBJCEBT-UHFFFAOYSA-N
MW430.37 g/mol
LogP6.65
Rot. Bonds4

About 1-(2-bromophenyl)-3-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]urea

1-(2-bromophenyl)-3-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]urea (PubChem CID 17217985) has the molecular formula C20H20BrN3OS and a molecular weight of 430.37 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]urea
PubChem CID17217985
Molecular FormulaC20H20BrN3OS
Molecular Weight430.37 g/mol
Exact Mass429.05
IUPAC Name1-(2-bromophenyl)-3-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]urea
SMILESCc1sc(NC(=O)Nc2ccccc2Br)nc1-c1ccc(C(C)C)cc1
InChIInChI=1S/C20H20BrN3OS/c1-12(2)14-8-10-15(11-9-14)18-13(3)26-20(23-18)24-19(25)22-17-7-5-4-6-16(17)21/h4-12H,1-3H3,(H2,22,23,24,25)
InChIKeyNPRCLOVLBJCEBT-UHFFFAOYSA-N
XLogP6.65
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.37
LogP ≤ 56.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-propan-2-ylphenoxy)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)acetamide
CID 19202918
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
CID 1406576
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxo-4-(4-propan-2-ylphenyl)butanamide
CID 126211187
5-methyl-N-propan-2-yl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 39373637
2-(4-chlorophenyl)-3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide
CID 4868536
2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
CID 74077409
1-(4-chlorophenyl)-3-(5-methyl-4-phenyl-1,3-thiazol-2-yl)urea
CID 4640164
N-(2-bromophenyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine;hydrochloride
CID 45053016
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 19172964
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 19227719
(2R)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylbutanamide
CID 25495361
1-(3-chlorophenyl)-3-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]urea
CID 1185920

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(2-bromophenyl)-3-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]urea (CID 17217985) is 1-(2-bromophenyl)-3-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(2-bromophenyl)-3-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]urea is Cc1sc(NC(=O)Nc2ccccc2Br)nc1-c1ccc(C(C)C)cc1.
What is the InChIKey of 1-(2-bromophenyl)-3-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]urea?
The InChIKey is NPRCLOVLBJCEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3OS/c1-12(2)14-8-10-15(11-9-14)18-13(3)26-20(23-18)24-19(25)22-17-7-5-4-6-16(17)21/h4-12H,1-3H3,(H2,22,23,24,25).
What are the key properties of 1-(2-bromophenyl)-3-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]urea?
1-(2-bromophenyl)-3-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]urea has a molecular weight of 430.37 g/mol, XLogP of 6.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 17217985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).