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

C11H9BrN2OS2 — CID 4617531

IUPAC2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
SMILESNC(=O)CSc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C11H9BrN2OS2/c12-8-3-1-7(2-4-8)9-5-16-11(14-9)17-6-10(13)15/h1-5H,6H2,(H2,13,15)
InChIKeyVGFANFAOXXBAGA-UHFFFAOYSA-N
MW329.24 g/mol
LogP3.15
Rot. Bonds4

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

2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide (PubChem CID 4617531) has the molecular formula C11H9BrN2OS2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
PubChem CID4617531
Molecular FormulaC11H9BrN2OS2
Molecular Weight329.24 g/mol
Exact Mass327.93
IUPAC Name2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
SMILESNC(=O)CSc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C11H9BrN2OS2/c12-8-3-1-7(2-4-8)9-5-16-11(14-9)17-6-10(13)15/h1-5H,6H2,(H2,13,15)
InChIKeyVGFANFAOXXBAGA-UHFFFAOYSA-N
XLogP3.15
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-1-phenylethanone
CID 3406773
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-ethylacetamide
CID 5196653
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide
CID 3529918
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-1-phenothiazin-10-ylethanone
CID 4676040
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(2,6-diethylphenyl)acetamide
CID 3923550
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide
CID 4243160
dimethyl 5-[[2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate
CID 4673533
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 3677104
2-[[5-[2-[4-(4-bromophenyl)phenyl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 30399584
ethyl 2-[[2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]benzoate
CID 4640774
methyl 2-[[2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]benzoate
CID 3501672
N,N-dimethyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 4001168

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide (CID 4617531) is 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide is NC(=O)CSc1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The InChIKey is VGFANFAOXXBAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2OS2/c12-8-3-1-7(2-4-8)9-5-16-11(14-9)17-6-10(13)15/h1-5H,6H2,(H2,13,15).
What are the key properties of 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide has a molecular weight of 329.24 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 4617531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).