2-nitro-2,3-dihydro-1,3-thiazole

C3H4N2O2S — CID 66670328

IUPAC2-nitro-2,3-dihydro-1,3-thiazole
SMILESO=[N+]([O-])C1NC=CS1
InChIInChI=1S/C3H4N2O2S/c6-5(7)3-4-1-2-8-3/h1-4H
InChIKeyLJIZNLMSKXWIJK-UHFFFAOYSA-N
MW132.14 g/mol
LogP0.35
Rot. Bonds1

About 2-nitro-2,3-dihydro-1,3-thiazole

2-nitro-2,3-dihydro-1,3-thiazole (PubChem CID 66670328) has the molecular formula C3H4N2O2S and a molecular weight of 132.14 g/mol. Its IUPAC name is 2-nitro-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-nitro-2,3-dihydro-1,3-thiazole
PubChem CID66670328
Molecular FormulaC3H4N2O2S
Molecular Weight132.14 g/mol
Exact Mass132.00
IUPAC Name2-nitro-2,3-dihydro-1,3-thiazole
SMILESO=[N+]([O-])C1NC=CS1
InChIInChI=1S/C3H4N2O2S/c6-5(7)3-4-1-2-8-3/h1-4H
InChIKeyLJIZNLMSKXWIJK-UHFFFAOYSA-N
XLogP0.35
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.14
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-nitro-2,3-dihydro-1,3-thiazole?
The IUPAC name of 2-nitro-2,3-dihydro-1,3-thiazole (CID 66670328) is 2-nitro-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 2-nitro-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 2-nitro-2,3-dihydro-1,3-thiazole is O=[N+]([O-])C1NC=CS1.
What is the InChIKey of 2-nitro-2,3-dihydro-1,3-thiazole?
The InChIKey is LJIZNLMSKXWIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2O2S/c6-5(7)3-4-1-2-8-3/h1-4H.
What are the key properties of 2-nitro-2,3-dihydro-1,3-thiazole?
2-nitro-2,3-dihydro-1,3-thiazole has a molecular weight of 132.14 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 66670328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).