2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide

C11H9BrN2OS — CID 560765

IUPAC2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
SMILESNC(=O)Cc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C11H9BrN2OS/c12-8-3-1-7(2-4-8)9-6-16-11(14-9)5-10(13)15/h1-4,6H,5H2,(H2,13,15)
InChIKeyRLOFEQQGBMPQSA-UHFFFAOYSA-N
MW297.18 g/mol
LogP2.60
Rot. Bonds3

About 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide

2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 560765) has the molecular formula C11H9BrN2OS and a molecular weight of 297.18 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID560765
Molecular FormulaC11H9BrN2OS
Molecular Weight297.18 g/mol
Exact Mass295.96
IUPAC Name2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
SMILESNC(=O)Cc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C11H9BrN2OS/c12-8-3-1-7(2-4-8)9-6-16-11(14-9)5-10(13)15/h1-4,6H,5H2,(H2,13,15)
InChIKeyRLOFEQQGBMPQSA-UHFFFAOYSA-N
XLogP2.60
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide (CID 560765) is 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide is NC(=O)Cc1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is RLOFEQQGBMPQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2OS/c12-8-3-1-7(2-4-8)9-6-16-11(14-9)5-10(13)15/h1-4,6H,5H2,(H2,13,15).
What are the key properties of 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide?
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 297.18 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 560765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).