3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-thiazinane-2,4-dione

C9H12N4O2S2 — CID 113382332

IUPAC3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-thiazinane-2,4-dione
SMILESCCNc1snnc1CN1C(=O)CCSC1=O
InChIInChI=1S/C9H12N4O2S2/c1-2-10-8-6(11-12-17-8)5-13-7(14)3-4-16-9(13)15/h10H,2-5H2,1H3
InChIKeyJQZORSLNUOYSJH-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.56
Rot. Bonds4

About 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-thiazinane-2,4-dione

3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-thiazinane-2,4-dione (PubChem CID 113382332) has the molecular formula C9H12N4O2S2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-thiazinane-2,4-dione.

Molecular Properties

Compound Name3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-thiazinane-2,4-dione
PubChem CID113382332
Molecular FormulaC9H12N4O2S2
Molecular Weight272.35 g/mol
Exact Mass272.04
IUPAC Name3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-thiazinane-2,4-dione
SMILESCCNc1snnc1CN1C(=O)CCSC1=O
InChIInChI=1S/C9H12N4O2S2/c1-2-10-8-6(11-12-17-8)5-13-7(14)3-4-16-9(13)15/h10H,2-5H2,1H3
InChIKeyJQZORSLNUOYSJH-UHFFFAOYSA-N
XLogP1.56
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-thiazinane-2,4-dione?
The IUPAC name of 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-thiazinane-2,4-dione (CID 113382332) is 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-thiazinane-2,4-dione.
What is the SMILES notation for 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-thiazinane-2,4-dione?
The canonical SMILES for 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-thiazinane-2,4-dione is CCNc1snnc1CN1C(=O)CCSC1=O.
What is the InChIKey of 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-thiazinane-2,4-dione?
The InChIKey is JQZORSLNUOYSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S2/c1-2-10-8-6(11-12-17-8)5-13-7(14)3-4-16-9(13)15/h10H,2-5H2,1H3.
What are the key properties of 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-thiazinane-2,4-dione?
3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-thiazinane-2,4-dione has a molecular weight of 272.35 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-thiazinane-2,4-dione is sourced from PubChem (CID 113382332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).