(NE)-N-(1,3-thiazolidin-2-ylidene)nitramide

C3H5N3O2S — CID 135798723

IUPAC(NE)-N-(1,3-thiazolidin-2-ylidene)nitramide
SMILESO=[N+]([O-])/N=C1\NCCS1
InChIInChI=1S/C3H5N3O2S/c7-6(8)5-3-4-1-2-9-3/h1-2H2,(H,4,5)
InChIKeyNFAYNHSHBXASAP-UHFFFAOYSA-N
MW147.16 g/mol
LogP-0.13
Rot. Bonds1

About (NE)-N-(1,3-thiazolidin-2-ylidene)nitramide

(NE)-N-(1,3-thiazolidin-2-ylidene)nitramide (PubChem CID 135798723) has the molecular formula C3H5N3O2S and a molecular weight of 147.16 g/mol. Its IUPAC name is (NE)-N-(1,3-thiazolidin-2-ylidene)nitramide.

Molecular Properties

Compound Name(NE)-N-(1,3-thiazolidin-2-ylidene)nitramide
PubChem CID135798723
Molecular FormulaC3H5N3O2S
Molecular Weight147.16 g/mol
Exact Mass147.01
IUPAC Name(NE)-N-(1,3-thiazolidin-2-ylidene)nitramide
SMILESO=[N+]([O-])/N=C1\NCCS1
InChIInChI=1S/C3H5N3O2S/c7-6(8)5-3-4-1-2-9-3/h1-2H2,(H,4,5)
InChIKeyNFAYNHSHBXASAP-UHFFFAOYSA-N
XLogP-0.13
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.16
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NE)-N-(1,3-thiazolidin-2-ylidene)nitramide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1,3-thiazolidin-2-ylidene)nitramide?
The IUPAC name of (NE)-N-(1,3-thiazolidin-2-ylidene)nitramide (CID 135798723) is (NE)-N-(1,3-thiazolidin-2-ylidene)nitramide.
What is the SMILES notation for (NE)-N-(1,3-thiazolidin-2-ylidene)nitramide?
The canonical SMILES for (NE)-N-(1,3-thiazolidin-2-ylidene)nitramide is O=[N+]([O-])/N=C1\NCCS1.
What is the InChIKey of (NE)-N-(1,3-thiazolidin-2-ylidene)nitramide?
The InChIKey is NFAYNHSHBXASAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O2S/c7-6(8)5-3-4-1-2-9-3/h1-2H2,(H,4,5).
What are the key properties of (NE)-N-(1,3-thiazolidin-2-ylidene)nitramide?
(NE)-N-(1,3-thiazolidin-2-ylidene)nitramide has a molecular weight of 147.16 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1,3-thiazolidin-2-ylidene)nitramide is sourced from PubChem (CID 135798723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).