carbamothioyl 1,3-thiazolidine-2-carboxylate

C5H8N2O2S2 — CID 154410190

IUPACcarbamothioyl 1,3-thiazolidine-2-carboxylate
SMILESNC(=S)OC(=O)C1NCCS1
InChIInChI=1S/C5H8N2O2S2/c6-5(10)9-4(8)3-7-1-2-11-3/h3,7H,1-2H2,(H2,6,10)
InChIKeyAFSMXMZTPZSFFQ-UHFFFAOYSA-N
MW192.26 g/mol
LogP-0.56
Rot. Bonds1

About carbamothioyl 1,3-thiazolidine-2-carboxylate

carbamothioyl 1,3-thiazolidine-2-carboxylate (PubChem CID 154410190) has the molecular formula C5H8N2O2S2 and a molecular weight of 192.26 g/mol. Its IUPAC name is carbamothioyl 1,3-thiazolidine-2-carboxylate.

Molecular Properties

Compound Namecarbamothioyl 1,3-thiazolidine-2-carboxylate
PubChem CID154410190
Molecular FormulaC5H8N2O2S2
Molecular Weight192.26 g/mol
Exact Mass192.00
IUPAC Namecarbamothioyl 1,3-thiazolidine-2-carboxylate
SMILESNC(=S)OC(=O)C1NCCS1
InChIInChI=1S/C5H8N2O2S2/c6-5(10)9-4(8)3-7-1-2-11-3/h3,7H,1-2H2,(H2,6,10)
InChIKeyAFSMXMZTPZSFFQ-UHFFFAOYSA-N
XLogP-0.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 carbamothioyl 1,3-thiazolidine-2-carboxylate?
The IUPAC name of carbamothioyl 1,3-thiazolidine-2-carboxylate (CID 154410190) is carbamothioyl 1,3-thiazolidine-2-carboxylate.
What is the SMILES notation for carbamothioyl 1,3-thiazolidine-2-carboxylate?
The canonical SMILES for carbamothioyl 1,3-thiazolidine-2-carboxylate is NC(=S)OC(=O)C1NCCS1.
What is the InChIKey of carbamothioyl 1,3-thiazolidine-2-carboxylate?
The InChIKey is AFSMXMZTPZSFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S2/c6-5(10)9-4(8)3-7-1-2-11-3/h3,7H,1-2H2,(H2,6,10).
What are the key properties of carbamothioyl 1,3-thiazolidine-2-carboxylate?
carbamothioyl 1,3-thiazolidine-2-carboxylate has a molecular weight of 192.26 g/mol, XLogP of -0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbamothioyl 1,3-thiazolidine-2-carboxylate is sourced from PubChem (CID 154410190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).