(3-amino-3H-thiophen-2-ylidene)methanone

C5H5NOS — CID 87838596

IUPAC(3-amino-3H-thiophen-2-ylidene)methanone
SMILESNC1C=CSC1=C=O
InChIInChI=1S/C5H5NOS/c6-4-1-2-8-5(4)3-7/h1-2,4H,6H2
InChIKeyIAWVQYGAHFPHLM-UHFFFAOYSA-N
MW127.17 g/mol
LogP0.29
Rot. Bonds

About (3-amino-3H-thiophen-2-ylidene)methanone

(3-amino-3H-thiophen-2-ylidene)methanone (PubChem CID 87838596) has the molecular formula C5H5NOS and a molecular weight of 127.17 g/mol. Its IUPAC name is (3-amino-3H-thiophen-2-ylidene)methanone.

Molecular Properties

Compound Name(3-amino-3H-thiophen-2-ylidene)methanone
PubChem CID87838596
Molecular FormulaC5H5NOS
Molecular Weight127.17 g/mol
Exact Mass127.01
IUPAC Name(3-amino-3H-thiophen-2-ylidene)methanone
SMILESNC1C=CSC1=C=O
InChIInChI=1S/C5H5NOS/c6-4-1-2-8-5(4)3-7/h1-2,4H,6H2
InChIKeyIAWVQYGAHFPHLM-UHFFFAOYSA-N
XLogP0.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.17
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}

Analyze (3-amino-3H-thiophen-2-ylidene)methanone 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 (3-amino-3H-thiophen-2-ylidene)methanone?
The IUPAC name of (3-amino-3H-thiophen-2-ylidene)methanone (CID 87838596) is (3-amino-3H-thiophen-2-ylidene)methanone.
What is the SMILES notation for (3-amino-3H-thiophen-2-ylidene)methanone?
The canonical SMILES for (3-amino-3H-thiophen-2-ylidene)methanone is NC1C=CSC1=C=O.
What is the InChIKey of (3-amino-3H-thiophen-2-ylidene)methanone?
The InChIKey is IAWVQYGAHFPHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NOS/c6-4-1-2-8-5(4)3-7/h1-2,4H,6H2.
What are the key properties of (3-amino-3H-thiophen-2-ylidene)methanone?
(3-amino-3H-thiophen-2-ylidene)methanone has a molecular weight of 127.17 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3H-thiophen-2-ylidene)methanone is sourced from PubChem (CID 87838596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).