CID 59369555

C9H12N2OS — CID 59369555

IUPAC—
SMILES[CH]c1nc(C(=O)N(CC)CC)cs1
InChIInChI=1S/C9H12N2OS/c1-4-11(5-2)9(12)8-6-13-7(3)10-8/h3,6H,4-5H2,1-2H3
InChIKeyGLZLSLYFYZVXHW-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.68
Rot. Bonds3

About CID 59369555

CID 59369555 (PubChem CID 59369555) has the molecular formula C9H12N2OS and a molecular weight of 196.28 g/mol.

Molecular Properties

Compound NameCID 59369555
PubChem CID59369555
Molecular FormulaC9H12N2OS
Molecular Weight196.28 g/mol
Exact Mass196.07
IUPAC Name—
SMILES[CH]c1nc(C(=O)N(CC)CC)cs1
InChIInChI=1S/C9H12N2OS/c1-4-11(5-2)9(12)8-6-13-7(3)10-8/h3,6H,4-5H2,1-2H3
InChIKeyGLZLSLYFYZVXHW-UHFFFAOYSA-N
XLogP1.68
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 59369555?
The IUPAC name of CID 59369555 (CID 59369555) is not available.
What is the SMILES notation for CID 59369555?
The canonical SMILES for CID 59369555 is [CH]c1nc(C(=O)N(CC)CC)cs1.
What is the InChIKey of CID 59369555?
The InChIKey is GLZLSLYFYZVXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-4-11(5-2)9(12)8-6-13-7(3)10-8/h3,6H,4-5H2,1-2H3.
What are the key properties of CID 59369555?
CID 59369555 has a molecular weight of 196.28 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59369555 is sourced from PubChem (CID 59369555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).