N-(5-bromo-1,3-thiazol-2-yl)-2-methyl-3-sulfanylpropanamide

C7H9BrN2OS2 — CID 72947093

IUPACN-(5-bromo-1,3-thiazol-2-yl)-2-methyl-3-sulfanylpropanamide
SMILESCC(CS)C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C7H9BrN2OS2/c1-4(3-12)6(11)10-7-9-2-5(8)13-7/h2,4,12H,3H2,1H3,(H,9,10,11)
InChIKeyUCMLMGAWWYXRNM-UHFFFAOYSA-N
MW281.20 g/mol
LogP2.41
Rot. Bonds3

About N-(5-bromo-1,3-thiazol-2-yl)-2-methyl-3-sulfanylpropanamide

N-(5-bromo-1,3-thiazol-2-yl)-2-methyl-3-sulfanylpropanamide (PubChem CID 72947093) has the molecular formula C7H9BrN2OS2 and a molecular weight of 281.20 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-2-methyl-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-2-methyl-3-sulfanylpropanamide
PubChem CID72947093
Molecular FormulaC7H9BrN2OS2
Molecular Weight281.20 g/mol
Exact Mass279.93
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-2-methyl-3-sulfanylpropanamide
SMILESCC(CS)C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C7H9BrN2OS2/c1-4(3-12)6(11)10-7-9-2-5(8)13-7/h2,4,12H,3H2,1H3,(H,9,10,11)
InChIKeyUCMLMGAWWYXRNM-UHFFFAOYSA-N
XLogP2.41
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-(5-bromo-1,3-thiazol-2-yl)-2-methyl-3-sulfanylpropanamide 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-Acetamido-5-bromo-1,3-thiazole
CID 350260
2,2-dimethyl-N-(1,3-thiazol-2-yl)propanamide
CID 2834959
2-Amino-5-thio-substituted thiazole 57
CID 5329696
2-Amino-5-thio-substituted thiazole 68
CID 5329704
2-methyl-N-(1,3-thiazol-2-yl)butanamide
CID 3140495
N-(5-bromo-1,3-thiazol-2-yl)pentanamide
CID 2225496
N-(1,3-Thiazol-2-yl)propanamide
CID 247650
N-(5-bromo-1,3-thiazol-2-yl)-2,2-dimethylpropanamide
CID 11173072
N-(5-Bromo-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 54595974
2-amino-N-(5-bromo-1,3-thiazol-2-yl)acetamide
CID 60785743
(2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)propanamide
CID 61146667
(2S)-2-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-methylsulfanylbutanamide
CID 61178108

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-methyl-3-sulfanylpropanamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-methyl-3-sulfanylpropanamide (CID 72947093) is N-(5-bromo-1,3-thiazol-2-yl)-2-methyl-3-sulfanylpropanamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-2-methyl-3-sulfanylpropanamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-2-methyl-3-sulfanylpropanamide is CC(CS)C(=O)Nc1ncc(Br)s1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-2-methyl-3-sulfanylpropanamide?
The InChIKey is UCMLMGAWWYXRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2OS2/c1-4(3-12)6(11)10-7-9-2-5(8)13-7/h2,4,12H,3H2,1H3,(H,9,10,11).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-2-methyl-3-sulfanylpropanamide?
N-(5-bromo-1,3-thiazol-2-yl)-2-methyl-3-sulfanylpropanamide has a molecular weight of 281.20 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-2-methyl-3-sulfanylpropanamide is sourced from PubChem (CID 72947093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).