O-ethyl [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylmethanethioate

C8H10N2O2S3 — CID 2345751

IUPACO-ethyl [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylmethanethioate
SMILESCCOC(=S)SCC(=O)Nc1nccs1
InChIInChI=1S/C8H10N2O2S3/c1-2-12-8(13)15-5-6(11)10-7-9-3-4-14-7/h3-4H,2,5H2,1H3,(H,9,10,11)
InChIKeyCSHIPZQPEWKALP-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.14
Rot. Bonds4

About O-ethyl [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylmethanethioate

O-ethyl [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylmethanethioate (PubChem CID 2345751) has the molecular formula C8H10N2O2S3 and a molecular weight of 262.38 g/mol. Its IUPAC name is O-ethyl [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylmethanethioate.

Molecular Properties

Compound NameO-ethyl [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylmethanethioate
PubChem CID2345751
Molecular FormulaC8H10N2O2S3
Molecular Weight262.38 g/mol
Exact Mass261.99
IUPAC NameO-ethyl [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylmethanethioate
SMILESCCOC(=S)SCC(=O)Nc1nccs1
InChIInChI=1S/C8H10N2O2S3/c1-2-12-8(13)15-5-6(11)10-7-9-3-4-14-7/h3-4H,2,5H2,1H3,(H,9,10,11)
InChIKeyCSHIPZQPEWKALP-UHFFFAOYSA-N
XLogP2.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 O-ethyl [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylmethanethioate?
The IUPAC name of O-ethyl [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylmethanethioate (CID 2345751) is O-ethyl [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylmethanethioate.
What is the SMILES notation for O-ethyl [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylmethanethioate?
The canonical SMILES for O-ethyl [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylmethanethioate is CCOC(=S)SCC(=O)Nc1nccs1.
What is the InChIKey of O-ethyl [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylmethanethioate?
The InChIKey is CSHIPZQPEWKALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S3/c1-2-12-8(13)15-5-6(11)10-7-9-3-4-14-7/h3-4H,2,5H2,1H3,(H,9,10,11).
What are the key properties of O-ethyl [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylmethanethioate?
O-ethyl [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylmethanethioate has a molecular weight of 262.38 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for O-ethyl [2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylmethanethioate is sourced from PubChem (CID 2345751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).