CID 57424759

C5H6NOS — CID 57424759

IUPAC—
SMILESCCOc1n[c]cs1
InChIInChI=1S/C5H6NOS/c1-2-7-5-6-3-4-8-5/h4H,2H2,1H3
InChIKeyUAAAQUPHCLNGEL-UHFFFAOYSA-N
MW128.18 g/mol
LogP1.34
Rot. Bonds2

About CID 57424759

CID 57424759 (PubChem CID 57424759) has the molecular formula C5H6NOS and a molecular weight of 128.18 g/mol.

Molecular Properties

Compound NameCID 57424759
PubChem CID57424759
Molecular FormulaC5H6NOS
Molecular Weight128.18 g/mol
Exact Mass128.02
IUPAC Name—
SMILESCCOc1n[c]cs1
InChIInChI=1S/C5H6NOS/c1-2-7-5-6-3-4-8-5/h4H,2H2,1H3
InChIKeyUAAAQUPHCLNGEL-UHFFFAOYSA-N
XLogP1.34
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze CID 57424759 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 CID 57424759?
The IUPAC name of CID 57424759 (CID 57424759) is not available.
What is the SMILES notation for CID 57424759?
The canonical SMILES for CID 57424759 is CCOc1n[c]cs1.
What is the InChIKey of CID 57424759?
The InChIKey is UAAAQUPHCLNGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6NOS/c1-2-7-5-6-3-4-8-5/h4H,2H2,1H3.
What are the key properties of CID 57424759?
CID 57424759 has a molecular weight of 128.18 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57424759 is sourced from PubChem (CID 57424759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).