1-(5-bromo-1,3-thiazol-2-yl)-1-(3-chlorophenyl)urea

C10H7BrClN3OS — CID 54524786

IUPAC1-(5-bromo-1,3-thiazol-2-yl)-1-(3-chlorophenyl)urea
SMILESNC(=O)N(c1cccc(Cl)c1)c1ncc(Br)s1
InChIInChI=1S/C10H7BrClN3OS/c11-8-5-14-10(17-8)15(9(13)16)7-3-1-2-6(12)4-7/h1-5H,(H2,13,16)
InChIKeyYSJLUZWBQVGAJT-UHFFFAOYSA-N
MW332.61 g/mol
LogP3.78
Rot. Bonds2

About 1-(5-bromo-1,3-thiazol-2-yl)-1-(3-chlorophenyl)urea

1-(5-bromo-1,3-thiazol-2-yl)-1-(3-chlorophenyl)urea (PubChem CID 54524786) has the molecular formula C10H7BrClN3OS and a molecular weight of 332.61 g/mol. Its IUPAC name is 1-(5-bromo-1,3-thiazol-2-yl)-1-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-(5-bromo-1,3-thiazol-2-yl)-1-(3-chlorophenyl)urea
PubChem CID54524786
Molecular FormulaC10H7BrClN3OS
Molecular Weight332.61 g/mol
Exact Mass330.92
IUPAC Name1-(5-bromo-1,3-thiazol-2-yl)-1-(3-chlorophenyl)urea
SMILESNC(=O)N(c1cccc(Cl)c1)c1ncc(Br)s1
InChIInChI=1S/C10H7BrClN3OS/c11-8-5-14-10(17-8)15(9(13)16)7-3-1-2-6(12)4-7/h1-5H,(H2,13,16)
InChIKeyYSJLUZWBQVGAJT-UHFFFAOYSA-N
XLogP3.78
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.61
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)-1-(3-chlorophenyl)urea?
The IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)-1-(3-chlorophenyl)urea (CID 54524786) is 1-(5-bromo-1,3-thiazol-2-yl)-1-(3-chlorophenyl)urea.
What is the SMILES notation for 1-(5-bromo-1,3-thiazol-2-yl)-1-(3-chlorophenyl)urea?
The canonical SMILES for 1-(5-bromo-1,3-thiazol-2-yl)-1-(3-chlorophenyl)urea is NC(=O)N(c1cccc(Cl)c1)c1ncc(Br)s1.
What is the InChIKey of 1-(5-bromo-1,3-thiazol-2-yl)-1-(3-chlorophenyl)urea?
The InChIKey is YSJLUZWBQVGAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN3OS/c11-8-5-14-10(17-8)15(9(13)16)7-3-1-2-6(12)4-7/h1-5H,(H2,13,16).
What are the key properties of 1-(5-bromo-1,3-thiazol-2-yl)-1-(3-chlorophenyl)urea?
1-(5-bromo-1,3-thiazol-2-yl)-1-(3-chlorophenyl)urea has a molecular weight of 332.61 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1,3-thiazol-2-yl)-1-(3-chlorophenyl)urea is sourced from PubChem (CID 54524786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).