CID 101192415

C4H5N2O2S — CID 101192415

IUPAC—
SMILESO=C1C[C](O)NC(=S)N1
InChIInChI=1S/C4H5N2O2S/c7-2-1-3(8)6-4(9)5-2/h7H,1H2,(H2,5,6,8,9)
InChIKeyXQIJWCVLBYGGIP-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.76
Rot. Bonds

About CID 101192415

CID 101192415 (PubChem CID 101192415) has the molecular formula C4H5N2O2S and a molecular weight of 145.16 g/mol.

Molecular Properties

Compound NameCID 101192415
PubChem CID101192415
Molecular FormulaC4H5N2O2S
Molecular Weight145.16 g/mol
Exact Mass145.01
IUPAC Name—
SMILESO=C1C[C](O)NC(=S)N1
InChIInChI=1S/C4H5N2O2S/c7-2-1-3(8)6-4(9)5-2/h7H,1H2,(H2,5,6,8,9)
InChIKeyXQIJWCVLBYGGIP-UHFFFAOYSA-N
XLogP-0.76
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 101192415?
The IUPAC name of CID 101192415 (CID 101192415) is not available.
What is the SMILES notation for CID 101192415?
The canonical SMILES for CID 101192415 is O=C1C[C](O)NC(=S)N1.
What is the InChIKey of CID 101192415?
The InChIKey is XQIJWCVLBYGGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N2O2S/c7-2-1-3(8)6-4(9)5-2/h7H,1H2,(H2,5,6,8,9).
What are the key properties of CID 101192415?
CID 101192415 has a molecular weight of 145.16 g/mol, XLogP of -0.76, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101192415 is sourced from PubChem (CID 101192415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).