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

C11H9BrClN3OS2 — CID 43249969

IUPAC2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromo-2-chlorophenyl)acetamide
SMILESNc1ncc(SCC(=O)Nc2ccc(Br)cc2Cl)s1
InChIInChI=1S/C11H9BrClN3OS2/c12-6-1-2-8(7(13)3-6)16-9(17)5-18-10-4-15-11(14)19-10/h1-4H,5H2,(H2,14,15)(H,16,17)
InChIKeyMTWWFVFHENVQHG-UHFFFAOYSA-N
MW378.70 g/mol
LogP3.87
Rot. Bonds4

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

2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromo-2-chlorophenyl)acetamide (PubChem CID 43249969) has the molecular formula C11H9BrClN3OS2 and a molecular weight of 378.70 g/mol. Its IUPAC name is 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromo-2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromo-2-chlorophenyl)acetamide
PubChem CID43249969
Molecular FormulaC11H9BrClN3OS2
Molecular Weight378.70 g/mol
Exact Mass376.91
IUPAC Name2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromo-2-chlorophenyl)acetamide
SMILESNc1ncc(SCC(=O)Nc2ccc(Br)cc2Cl)s1
InChIInChI=1S/C11H9BrClN3OS2/c12-6-1-2-8(7(13)3-6)16-9(17)5-18-10-4-15-11(14)19-10/h1-4H,5H2,(H2,14,15)(H,16,17)
InChIKeyMTWWFVFHENVQHG-UHFFFAOYSA-N
XLogP3.87
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.70
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromophenyl)acetamide
CID 24706271
N-(4-bromo-2-chlorophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 1304646
N-(4-bromo-2-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 24571086
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 24701812
N-(4-bromo-2-chlorophenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 47263024
2-(2-amino-4-fluorophenyl)sulfanyl-N-(4-bromo-2-chlorophenyl)acetamide
CID 43304005
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
CID 43250054
2-(2-amino-3-methylphenyl)sulfanyl-N-(4-bromo-2-chlorophenyl)acetamide
CID 79130949
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-chloro-4-methylphenyl)acetamide
CID 2706598
N-(4-bromo-2-chlorophenyl)-2-tert-butylsulfanylacetamide
CID 78780727
N-(4-bromo-2-chlorophenyl)-2-hydroxyacetamide
CID 43558842
N-(4-bromo-2-chlorophenyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
CID 24571729

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromo-2-chlorophenyl)acetamide?
The IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromo-2-chlorophenyl)acetamide (CID 43249969) is 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromo-2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromo-2-chlorophenyl)acetamide?
The canonical SMILES for 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromo-2-chlorophenyl)acetamide is Nc1ncc(SCC(=O)Nc2ccc(Br)cc2Cl)s1.
What is the InChIKey of 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromo-2-chlorophenyl)acetamide?
The InChIKey is MTWWFVFHENVQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3OS2/c12-6-1-2-8(7(13)3-6)16-9(17)5-18-10-4-15-11(14)19-10/h1-4H,5H2,(H2,14,15)(H,16,17).
What are the key properties of 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromo-2-chlorophenyl)acetamide?
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromo-2-chlorophenyl)acetamide has a molecular weight of 378.70 g/mol, XLogP of 3.87, 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-bromo-2-chlorophenyl)acetamide is sourced from PubChem (CID 43249969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).