(2S)-2-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylacetamide

C11H11BrN2OS — CID 99864673

IUPAC(2S)-2-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylacetamide
SMILESO=C(NC1=NCCS1)[C@@H](Br)c1ccccc1
InChIInChI=1S/C11H11BrN2OS/c12-9(8-4-2-1-3-5-8)10(15)14-11-13-6-7-16-11/h1-5,9H,6-7H2,(H,13,14,15)/t9-/m0/s1
InChIKeyZZJBUFPLBHOFKW-VIFPVBQESA-N
MW299.19 g/mol
LogP2.34
Rot. Bonds2

About (2S)-2-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylacetamide

(2S)-2-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylacetamide (PubChem CID 99864673) has the molecular formula C11H11BrN2OS and a molecular weight of 299.19 g/mol. Its IUPAC name is (2S)-2-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylacetamide
PubChem CID99864673
Molecular FormulaC11H11BrN2OS
Molecular Weight299.19 g/mol
Exact Mass297.98
IUPAC Name(2S)-2-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylacetamide
SMILESO=C(NC1=NCCS1)[C@@H](Br)c1ccccc1
InChIInChI=1S/C11H11BrN2OS/c12-9(8-4-2-1-3-5-8)10(15)14-11-13-6-7-16-11/h1-5,9H,6-7H2,(H,13,14,15)/t9-/m0/s1
InChIKeyZZJBUFPLBHOFKW-VIFPVBQESA-N
XLogP2.34
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylacetamide 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

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 2960893
(2S)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-2-phenylsulfanylbutanamide
CID 52876063
2-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)benzoic acid
CID 2859080
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-naphthalen-1-ylurea
CID 108884683
1-N,4-N-bis(4,5-dihydro-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 4066059
2-(4-bromophenyl)sulfanyl-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
CID 47265585
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylsulfanylbenzamide
CID 4801992
N-(5,6-dihydro-4H-1,3-thiazin-2-yl)benzamide
CID 102046322
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylquinoline-4-carboxamide
CID 2117314
N-(4,5-dihydro-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 2110722
2-bromo-N-[2-[[2-[(2-bromo-2-phenylacetyl)amino]phenyl]ditellanyl]phenyl]-2-phenylacetamide
CID 139235992
(2R)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanamide
CID 2095523

Frequently Asked Questions

What is the IUPAC name of (2S)-2-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylacetamide?
The IUPAC name of (2S)-2-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylacetamide (CID 99864673) is (2S)-2-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylacetamide is O=C(NC1=NCCS1)[C@@H](Br)c1ccccc1.
What is the InChIKey of (2S)-2-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylacetamide?
The InChIKey is ZZJBUFPLBHOFKW-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11BrN2OS/c12-9(8-4-2-1-3-5-8)10(15)14-11-13-6-7-16-11/h1-5,9H,6-7H2,(H,13,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylacetamide?
(2S)-2-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylacetamide has a molecular weight of 299.19 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-bromo-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-phenylacetamide is sourced from PubChem (CID 99864673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).