2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one

C8H6N2OS2 — CID 2865758

IUPAC2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one
SMILESNC1=NC(=O)C(=Cc2ccsc2)S1
InChIInChI=1S/C8H6N2OS2/c9-8-10-7(11)6(13-8)3-5-1-2-12-4-5/h1-4H,(H2,9,10,11)
InChIKeyLMIMBTHCPZTIRH-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.68
Rot. Bonds1

About 2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one

2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one (PubChem CID 2865758) has the molecular formula C8H6N2OS2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one
PubChem CID2865758
Molecular FormulaC8H6N2OS2
Molecular Weight210.28 g/mol
Exact Mass209.99
IUPAC Name2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one
SMILESNC1=NC(=O)C(=Cc2ccsc2)S1
InChIInChI=1S/C8H6N2OS2/c9-8-10-7(11)6(13-8)3-5-1-2-12-4-5/h1-4H,(H2,9,10,11)
InChIKeyLMIMBTHCPZTIRH-UHFFFAOYSA-N
XLogP1.68
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one 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 2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one?
The IUPAC name of 2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one (CID 2865758) is 2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one.
What is the SMILES notation for 2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one?
The canonical SMILES for 2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one is NC1=NC(=O)C(=Cc2ccsc2)S1.
What is the InChIKey of 2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one?
The InChIKey is LMIMBTHCPZTIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2OS2/c9-8-10-7(11)6(13-8)3-5-1-2-12-4-5/h1-4H,(H2,9,10,11).
What are the key properties of 2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one?
2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one has a molecular weight of 210.28 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(thiophen-3-ylmethylidene)-1,3-thiazol-4-one is sourced from PubChem (CID 2865758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).