2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromophenyl)acetamide

C11H10BrN3OS2 — CID 24706271

IUPAC2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromophenyl)acetamide
SMILESNc1ncc(SCC(=O)Nc2ccc(Br)cc2)s1
InChIInChI=1S/C11H10BrN3OS2/c12-7-1-3-8(4-2-7)15-9(16)6-17-10-5-14-11(13)18-10/h1-5H,6H2,(H2,13,14)(H,15,16)
InChIKeyWWUFXZCLGVIHMS-UHFFFAOYSA-N
MW344.26 g/mol
LogP3.22
Rot. Bonds4

About 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromophenyl)acetamide

2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromophenyl)acetamide (PubChem CID 24706271) has the molecular formula C11H10BrN3OS2 and a molecular weight of 344.26 g/mol. Its IUPAC name is 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromophenyl)acetamide
PubChem CID24706271
Molecular FormulaC11H10BrN3OS2
Molecular Weight344.26 g/mol
Exact Mass342.94
IUPAC Name2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromophenyl)acetamide
SMILESNc1ncc(SCC(=O)Nc2ccc(Br)cc2)s1
InChIInChI=1S/C11H10BrN3OS2/c12-7-1-3-8(4-2-7)15-9(16)6-17-10-5-14-11(13)18-10/h1-5H,6H2,(H2,13,14)(H,15,16)
InChIKeyWWUFXZCLGVIHMS-UHFFFAOYSA-N
XLogP3.22
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromophenyl)acetamide 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-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-propylphenyl)acetamide
CID 43249738
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
CID 43250054
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromo-2-chlorophenyl)acetamide
CID 43249969
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 24701812
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
CID 24691872
N-(4-bromophenyl)-2-thiophen-2-ylsulfanylacetamide
CID 3334524
N-(4-bromophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetamide
CID 112777647
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(methylcarbamoyl)acetamide
CID 43250123
N'-[2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]acetyl]benzohydrazide
CID 43249743
2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide
CID 3567894
2-(2-amino-5-bromophenyl)sulfanyl-N-(4-bromophenyl)acetamide
CID 79533863
S-[2-(4-bromoanilino)-2-oxoethyl] carbamothioate
CID 873458

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromophenyl)acetamide (CID 24706271) is 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromophenyl)acetamide is Nc1ncc(SCC(=O)Nc2ccc(Br)cc2)s1.
What is the InChIKey of 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromophenyl)acetamide?
The InChIKey is WWUFXZCLGVIHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3OS2/c12-7-1-3-8(4-2-7)15-9(16)6-17-10-5-14-11(13)18-10/h1-5H,6H2,(H2,13,14)(H,15,16).
What are the key properties of 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromophenyl)acetamide?
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromophenyl)acetamide has a molecular weight of 344.26 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 24706271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).