1-(4-acetylphenyl)-3-(5-bromo-1,3-thiazol-2-yl)urea

C12H10BrN3O2S — CID 61347023

IUPAC1-(4-acetylphenyl)-3-(5-bromo-1,3-thiazol-2-yl)urea
SMILESCC(=O)c1ccc(NC(=O)Nc2ncc(Br)s2)cc1
InChIInChI=1S/C12H10BrN3O2S/c1-7(17)8-2-4-9(5-3-8)15-11(18)16-12-14-6-10(13)19-12/h2-6H,1H3,(H2,14,15,16,18)
InChIKeyMEAIDADEMOKAMG-UHFFFAOYSA-N
MW340.20 g/mol
LogP3.75
Rot. Bonds3

About 1-(4-acetylphenyl)-3-(5-bromo-1,3-thiazol-2-yl)urea

1-(4-acetylphenyl)-3-(5-bromo-1,3-thiazol-2-yl)urea (PubChem CID 61347023) has the molecular formula C12H10BrN3O2S and a molecular weight of 340.20 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(5-bromo-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(5-bromo-1,3-thiazol-2-yl)urea
PubChem CID61347023
Molecular FormulaC12H10BrN3O2S
Molecular Weight340.20 g/mol
Exact Mass338.97
IUPAC Name1-(4-acetylphenyl)-3-(5-bromo-1,3-thiazol-2-yl)urea
SMILESCC(=O)c1ccc(NC(=O)Nc2ncc(Br)s2)cc1
InChIInChI=1S/C12H10BrN3O2S/c1-7(17)8-2-4-9(5-3-8)15-11(18)16-12-14-6-10(13)19-12/h2-6H,1H3,(H2,14,15,16,18)
InChIKeyMEAIDADEMOKAMG-UHFFFAOYSA-N
XLogP3.75
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.20
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(5-bromo-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(4-acetylphenyl)-3-(5-bromo-1,3-thiazol-2-yl)urea (CID 61347023) is 1-(4-acetylphenyl)-3-(5-bromo-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(5-bromo-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-(5-bromo-1,3-thiazol-2-yl)urea is CC(=O)c1ccc(NC(=O)Nc2ncc(Br)s2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-(5-bromo-1,3-thiazol-2-yl)urea?
The InChIKey is MEAIDADEMOKAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O2S/c1-7(17)8-2-4-9(5-3-8)15-11(18)16-12-14-6-10(13)19-12/h2-6H,1H3,(H2,14,15,16,18).
What are the key properties of 1-(4-acetylphenyl)-3-(5-bromo-1,3-thiazol-2-yl)urea?
1-(4-acetylphenyl)-3-(5-bromo-1,3-thiazol-2-yl)urea has a molecular weight of 340.20 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-(5-bromo-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 61347023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).