2-(1-methylimidazol-2-yl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide

C9H9N5O3S2 — CID 593328

IUPAC2-(1-methylimidazol-2-yl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESCn1ccnc1SCC(=O)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C9H9N5O3S2/c1-13-3-2-10-9(13)18-5-6(15)12-8-11-4-7(19-8)14(16)17/h2-4H,5H2,1H3,(H,11,12,15)
InChIKeyPCXQYQBVDNCXSH-UHFFFAOYSA-N
MW299.34 g/mol
LogP1.52
Rot. Bonds5

About 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide

2-(1-methylimidazol-2-yl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide (PubChem CID 593328) has the molecular formula C9H9N5O3S2 and a molecular weight of 299.34 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide
PubChem CID593328
Molecular FormulaC9H9N5O3S2
Molecular Weight299.34 g/mol
Exact Mass299.01
IUPAC Name2-(1-methylimidazol-2-yl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESCn1ccnc1SCC(=O)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C9H9N5O3S2/c1-13-3-2-10-9(13)18-5-6(15)12-8-11-4-7(19-8)14(16)17/h2-4H,5H2,1H3,(H,11,12,15)
InChIKeyPCXQYQBVDNCXSH-UHFFFAOYSA-N
XLogP1.52
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide 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

sodium 5-nitro-2-[(2-sulfosulfanylacetyl)amino]-1,3-thiazole
CID 126460340
2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 25250353
6-(4-cyclopropyltriazol-1-yl)-N-(5-nitro-1,3-thiazol-2-yl)hexanamide
CID 162668898
2-(1-methylimidazol-2-yl)sulfanylacetohydrazide
CID 63580041
ethyl 3-[(5-nitro-1,3-thiazol-2-yl)amino]-3-oxopropanoate
CID 110480880
6-[(5-nitro-1,3-thiazol-2-yl)amino]-6-oxohexanoic acid
CID 15741046
N-(5-iodo-2-pyridinyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 15944403
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3982979
N-(5-nitro-1,3-thiazol-2-yl)-3-phenylsulfanylpropanamide
CID 2973288
2-(4-nitrophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3390048
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 3963884
3-(4-chlorophenyl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide
CID 2985108

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide (CID 593328) is 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide is Cn1ccnc1SCC(=O)Nc1ncc([N+](=O)[O-])s1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The InChIKey is PCXQYQBVDNCXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3S2/c1-13-3-2-10-9(13)18-5-6(15)12-8-11-4-7(19-8)14(16)17/h2-4H,5H2,1H3,(H,11,12,15).
What are the key properties of 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
2-(1-methylimidazol-2-yl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide has a molecular weight of 299.34 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 593328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).