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

C13H13BrN2OS2 — CID 5196653

IUPAC2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-ethylacetamide
SMILESCCNC(=O)CSc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C13H13BrN2OS2/c1-2-15-12(17)8-19-13-16-11(7-18-13)9-3-5-10(14)6-4-9/h3-7H,2,8H2,1H3,(H,15,17)
InChIKeyOWAJBKYKNHMVEM-UHFFFAOYSA-N
MW357.30 g/mol
LogP3.80
Rot. Bonds5

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

2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-ethylacetamide (PubChem CID 5196653) has the molecular formula C13H13BrN2OS2 and a molecular weight of 357.30 g/mol. Its IUPAC name is 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-ethylacetamide
PubChem CID5196653
Molecular FormulaC13H13BrN2OS2
Molecular Weight357.30 g/mol
Exact Mass355.97
IUPAC Name2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-ethylacetamide
SMILESCCNC(=O)CSc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C13H13BrN2OS2/c1-2-15-12(17)8-19-13-16-11(7-18-13)9-3-5-10(14)6-4-9/h3-7H,2,8H2,1H3,(H,15,17)
InChIKeyOWAJBKYKNHMVEM-UHFFFAOYSA-N
XLogP3.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-ethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(3,5-dimethylphenyl)acetamide
CID 3529918
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 4617531
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 3677104
dimethyl 5-[[2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate
CID 4673533
methyl 2-[[2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]benzoate
CID 3501672
ethyl 2-[[2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]benzoate
CID 4640774
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-(2,4-dichlorophenyl)acetamide
CID 4243160
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 4239700
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3982979
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-1-phenothiazin-10-ylethanone
CID 4676040

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-ethylacetamide?
The IUPAC name of 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-ethylacetamide (CID 5196653) is 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-ethylacetamide.
What is the SMILES notation for 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-ethylacetamide?
The canonical SMILES for 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-ethylacetamide is CCNC(=O)CSc1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-ethylacetamide?
The InChIKey is OWAJBKYKNHMVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2OS2/c1-2-15-12(17)8-19-13-16-11(7-18-13)9-3-5-10(14)6-4-9/h3-7H,2,8H2,1H3,(H,15,17).
What are the key properties of 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-ethylacetamide?
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-ethylacetamide has a molecular weight of 357.30 g/mol, XLogP of 3.80, 5 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]-N-ethylacetamide is sourced from PubChem (CID 5196653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).