N-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetamide

C8H8N4O3S2 — CID 1485912

IUPACN-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetamide
SMILESCNC(=O)CSc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C8H8N4O3S2/c1-9-5(13)4-17-6-7(12(14)15)11-2-3-16-8(11)10-6/h2-3H,4H2,1H3,(H,9,13)
InChIKeyINEYFCTXQUZBLA-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.14
Rot. Bonds4

About N-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetamide

N-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetamide (PubChem CID 1485912) has the molecular formula C8H8N4O3S2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetamide
PubChem CID1485912
Molecular FormulaC8H8N4O3S2
Molecular Weight272.31 g/mol
Exact Mass272.00
IUPAC NameN-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetamide
SMILESCNC(=O)CSc1nc2sccn2c1[N+](=O)[O-]
InChIInChI=1S/C8H8N4O3S2/c1-9-5(13)4-17-6-7(12(14)15)11-2-3-16-8(11)10-6/h2-3H,4H2,1H3,(H,9,13)
InChIKeyINEYFCTXQUZBLA-UHFFFAOYSA-N
XLogP1.14
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetamide?
The IUPAC name of N-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetamide (CID 1485912) is N-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetamide.
What is the SMILES notation for N-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetamide?
The canonical SMILES for N-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetamide is CNC(=O)CSc1nc2sccn2c1[N+](=O)[O-].
What is the InChIKey of N-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetamide?
The InChIKey is INEYFCTXQUZBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3S2/c1-9-5(13)4-17-6-7(12(14)15)11-2-3-16-8(11)10-6/h2-3H,4H2,1H3,(H,9,13).
What are the key properties of N-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetamide?
N-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetamide has a molecular weight of 272.31 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylacetamide is sourced from PubChem (CID 1485912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).