1-(5-nitro-1,3-thiazol-2-yl)imidazolidin-2-one

C6H6N4O3S — CID 6093

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IUPAC1-(5-nitro-1,3-thiazol-2-yl)imidazolidin-2-one
SMILESO=C1NCCN1c1ncc([N+](=O)[O-])s1
InChIInChI=1S/C6H6N4O3S/c11-5-7-1-2-9(5)6-8-3-4(14-6)10(12)13/h3H,1-2H2,(H,7,11)
InChIKeyRDXLYGJSWZYTFJ-UHFFFAOYSA-N
MW214.21 g/mol
LogP0.58
Rot. Bonds2

About 1-(5-nitro-1,3-thiazol-2-yl)imidazolidin-2-one

1-(5-nitro-1,3-thiazol-2-yl)imidazolidin-2-one (PubChem CID 6093) has the molecular formula C6H6N4O3S and a molecular weight of 214.21 g/mol. Its IUPAC name is 1-(5-nitro-1,3-thiazol-2-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(5-nitro-1,3-thiazol-2-yl)imidazolidin-2-one
PubChem CID6093
Molecular FormulaC6H6N4O3S
Molecular Weight214.21 g/mol
Exact Mass214.02
IUPAC Name1-(5-nitro-1,3-thiazol-2-yl)imidazolidin-2-one
SMILESO=C1NCCN1c1ncc([N+](=O)[O-])s1
InChIInChI=1S/C6H6N4O3S/c11-5-7-1-2-9(5)6-8-3-4(14-6)10(12)13/h3H,1-2H2,(H,7,11)
InChIKeyRDXLYGJSWZYTFJ-UHFFFAOYSA-N
XLogP0.58
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

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N-(5-Nitro-1,3-thiazol-2-yl)-N'-prop-2-en-1-ylurea
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S72014
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2(1,3-Imidazolidinyliden-2-amino)-5NO2-thiazole
CID 91154
2-Imidazolidinone, 1-acetyl-3-(5-nitro-2-thiazolyl)-
CID 201711
2-Thiazolamine, N-(1-methyl-2-imidazolidinyl)-5-nitro-
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2-Thiazolamine, N-(1-ethyl-2-imidazolidinyl)-5-nitro-
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Frequently Asked Questions

What is the IUPAC name of 1-(5-nitro-1,3-thiazol-2-yl)imidazolidin-2-one?
The IUPAC name of 1-(5-nitro-1,3-thiazol-2-yl)imidazolidin-2-one (CID 6093) is 1-(5-nitro-1,3-thiazol-2-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(5-nitro-1,3-thiazol-2-yl)imidazolidin-2-one?
The canonical SMILES for 1-(5-nitro-1,3-thiazol-2-yl)imidazolidin-2-one is O=C1NCCN1c1ncc([N+](=O)[O-])s1.
What is the InChIKey of 1-(5-nitro-1,3-thiazol-2-yl)imidazolidin-2-one?
The InChIKey is RDXLYGJSWZYTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O3S/c11-5-7-1-2-9(5)6-8-3-4(14-6)10(12)13/h3H,1-2H2,(H,7,11).
What are the key properties of 1-(5-nitro-1,3-thiazol-2-yl)imidazolidin-2-one?
1-(5-nitro-1,3-thiazol-2-yl)imidazolidin-2-one has a molecular weight of 214.21 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-nitro-1,3-thiazol-2-yl)imidazolidin-2-one is sourced from PubChem (CID 6093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).