2-(4-bromo-1,3-thiazol-2-yl)-N-iodoacetamide

C5H4BrIN2OS — CID 170238077

IUPAC2-(4-bromo-1,3-thiazol-2-yl)-N-iodoacetamide
SMILESO=C(Cc1nc(Br)cs1)NI
InChIInChI=1S/C5H4BrIN2OS/c6-3-2-11-5(8-3)1-4(10)9-7/h2H,1H2,(H,9,10)
InChIKeyQQAKAKHAQIANMW-UHFFFAOYSA-N
MW346.98 g/mol
LogP1.91
Rot. Bonds2

About 2-(4-bromo-1,3-thiazol-2-yl)-N-iodoacetamide

2-(4-bromo-1,3-thiazol-2-yl)-N-iodoacetamide (PubChem CID 170238077) has the molecular formula C5H4BrIN2OS and a molecular weight of 346.98 g/mol. Its IUPAC name is 2-(4-bromo-1,3-thiazol-2-yl)-N-iodoacetamide.

Molecular Properties

Compound Name2-(4-bromo-1,3-thiazol-2-yl)-N-iodoacetamide
PubChem CID170238077
Molecular FormulaC5H4BrIN2OS
Molecular Weight346.98 g/mol
Exact Mass345.83
IUPAC Name2-(4-bromo-1,3-thiazol-2-yl)-N-iodoacetamide
SMILESO=C(Cc1nc(Br)cs1)NI
InChIInChI=1S/C5H4BrIN2OS/c6-3-2-11-5(8-3)1-4(10)9-7/h2H,1H2,(H,9,10)
InChIKeyQQAKAKHAQIANMW-UHFFFAOYSA-N
XLogP1.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.98
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze 2-(4-bromo-1,3-thiazol-2-yl)-N-iodoacetamide 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-Chloro-1,3-thiazol-2-yl)acetamide
CID 11182947
3-(4-Bromo-1,3-thiazol-2-yl)propanamide
CID 68520438
2-(4-Bromothiazol-2-yl)acetamide
CID 68522317
2-(4-Bromo-1,3-thiazol-2-yl)acetaldehyde
CID 87299647
1-Amino-3-(4-bromo-1,3-thiazol-2-yl)propan-2-one
CID 159737342
2-(4-Bromo-1,3-thiazol-2-yl)-2-methylpropanamide
CID 169746958
2-(4-chloro-1,3-thiazol-2-yl)-N-iodoacetamide
CID 170233024
2-(4-bromo-1,3-thiazol-2-yl)-N-propan-2-ylacetamide
CID 171049235
2-(4-bromo-1,3-thiazol-2-yl)-N,2-dimethylpropanamide
CID 175925935

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-thiazol-2-yl)-N-iodoacetamide?
The IUPAC name of 2-(4-bromo-1,3-thiazol-2-yl)-N-iodoacetamide (CID 170238077) is 2-(4-bromo-1,3-thiazol-2-yl)-N-iodoacetamide.
What is the SMILES notation for 2-(4-bromo-1,3-thiazol-2-yl)-N-iodoacetamide?
The canonical SMILES for 2-(4-bromo-1,3-thiazol-2-yl)-N-iodoacetamide is O=C(Cc1nc(Br)cs1)NI.
What is the InChIKey of 2-(4-bromo-1,3-thiazol-2-yl)-N-iodoacetamide?
The InChIKey is QQAKAKHAQIANMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrIN2OS/c6-3-2-11-5(8-3)1-4(10)9-7/h2H,1H2,(H,9,10).
What are the key properties of 2-(4-bromo-1,3-thiazol-2-yl)-N-iodoacetamide?
2-(4-bromo-1,3-thiazol-2-yl)-N-iodoacetamide has a molecular weight of 346.98 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-thiazol-2-yl)-N-iodoacetamide is sourced from PubChem (CID 170238077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).