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

C11H9BrN2OS — CID 9173965

IUPAC2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
SMILESNC(=O)Cc1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C11H9BrN2OS/c12-8-3-1-2-7(4-8)9-6-16-11(14-9)5-10(13)15/h1-4,6H,5H2,(H2,13,15)
InChIKeyZIMSBVIBXGILPR-UHFFFAOYSA-N
MW297.18 g/mol
LogP2.60
Rot. Bonds3

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

2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 9173965) has the molecular formula C11H9BrN2OS and a molecular weight of 297.18 g/mol. Its IUPAC name is 2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID9173965
Molecular FormulaC11H9BrN2OS
Molecular Weight297.18 g/mol
Exact Mass295.96
IUPAC Name2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
SMILESNC(=O)Cc1nc(-c2cccc(Br)c2)cs1
InChIInChI=1S/C11H9BrN2OS/c12-8-3-1-2-7(4-8)9-6-16-11(14-9)5-10(13)15/h1-4,6H,5H2,(H2,13,15)
InChIKeyZIMSBVIBXGILPR-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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Related Compounds

2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 82118916
1-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine
CID 116964967
2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-N,N-dimethylethanamine
CID 115347390
N-[[4-(3-bromophenyl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558381
2-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 9174069
2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 9174003
2-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 9173961
4-(3-bromophenyl)-2-[(3,5-dimethylphenyl)methyl]-1,3-thiazole
CID 79832251
1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-one
CID 116966447
2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide
CID 116970137
4-(3-bromophenyl)-2-[(3,4-dichlorophenyl)methyl]-1,3-thiazole
CID 79831454
4-(3-bromophenyl)-2-[(2-methoxyphenyl)methyl]-1,3-thiazole
CID 79832018

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide (CID 9173965) is 2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide is NC(=O)Cc1nc(-c2cccc(Br)c2)cs1.
What is the InChIKey of 2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is ZIMSBVIBXGILPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2OS/c12-8-3-1-2-7(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-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide?
2-[4-(3-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-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 9173965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).