N-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-bromoacetamide

C11H11BrN4O2S2 — CID 155567806

IUPACN-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-bromoacetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(NC(=O)CBr)n2)s1
InChIInChI=1S/C11H11BrN4O2S2/c1-5-9(20-11(13-5)14-6(2)17)7-4-19-10(15-7)16-8(18)3-12/h4H,3H2,1-2H3,(H,13,14,17)(H,15,16,18)
InChIKeyVXNBNOYDTNSYQP-UHFFFAOYSA-N
MW375.27 g/mol
LogP2.87
Rot. Bonds4

About N-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-bromoacetamide

N-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-bromoacetamide (PubChem CID 155567806) has the molecular formula C11H11BrN4O2S2 and a molecular weight of 375.27 g/mol. Its IUPAC name is N-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-bromoacetamide.

Molecular Properties

Compound NameN-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-bromoacetamide
PubChem CID155567806
Molecular FormulaC11H11BrN4O2S2
Molecular Weight375.27 g/mol
Exact Mass373.95
IUPAC NameN-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-bromoacetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(NC(=O)CBr)n2)s1
InChIInChI=1S/C11H11BrN4O2S2/c1-5-9(20-11(13-5)14-6(2)17)7-4-19-10(15-7)16-8(18)3-12/h4H,3H2,1-2H3,(H,13,14,17)(H,15,16,18)
InChIKeyVXNBNOYDTNSYQP-UHFFFAOYSA-N
XLogP2.87
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-bromoacetamide 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-[5-[2-(4-acetamidoanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide;hydrobromide
CID 2877340
N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-methylbutanamide
CID 28900969
N-[5-[2-(benzylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]propanamide
CID 1144645
N-[4-methyl-5-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 161394086
3-[4-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]phenyl]propanoic acid
CID 87682710
4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-2-carboxamide
CID 11989642
4-[[4-[4-methyl-2-(propanoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]benzoate
CID 2230892
4-[[4-[4-methyl-2-(propanoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide
CID 5344979
N-[5-[2-[(2-chloro-3-pyridinyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 11291515
N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 28901044
[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylazanium
CID 3329207
[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-(4-methylphenyl)azanium
CID 3341375

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-bromoacetamide?
The IUPAC name of N-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-bromoacetamide (CID 155567806) is N-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-bromoacetamide.
What is the SMILES notation for N-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-bromoacetamide?
The canonical SMILES for N-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-bromoacetamide is CC(=O)Nc1nc(C)c(-c2csc(NC(=O)CBr)n2)s1.
What is the InChIKey of N-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-bromoacetamide?
The InChIKey is VXNBNOYDTNSYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O2S2/c1-5-9(20-11(13-5)14-6(2)17)7-4-19-10(15-7)16-8(18)3-12/h4H,3H2,1-2H3,(H,13,14,17)(H,15,16,18).
What are the key properties of N-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-bromoacetamide?
N-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-bromoacetamide has a molecular weight of 375.27 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-bromoacetamide is sourced from PubChem (CID 155567806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).