7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide

C6H6N2O2S — CID 67837828

IUPAC7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide
SMILESNC(=O)C1=CSC2CC(=O)N12
InChIInChI=1S/C6H6N2O2S/c7-6(10)3-2-11-5-1-4(9)8(3)5/h2,5H,1H2,(H2,7,10)
InChIKeyTYSCTURZVDOPGO-UHFFFAOYSA-N
MW170.19 g/mol
LogP-0.38
Rot. Bonds1

About 7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide

7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide (PubChem CID 67837828) has the molecular formula C6H6N2O2S and a molecular weight of 170.19 g/mol. Its IUPAC name is 7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide.

Molecular Properties

Compound Name7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide
PubChem CID67837828
Molecular FormulaC6H6N2O2S
Molecular Weight170.19 g/mol
Exact Mass170.01
IUPAC Name7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide
SMILESNC(=O)C1=CSC2CC(=O)N12
InChIInChI=1S/C6H6N2O2S/c7-6(10)3-2-11-5-1-4(9)8(3)5/h2,5H,1H2,(H2,7,10)
InChIKeyTYSCTURZVDOPGO-UHFFFAOYSA-N
XLogP-0.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide?
The IUPAC name of 7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide (CID 67837828) is 7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide.
What is the SMILES notation for 7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide?
The canonical SMILES for 7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide is NC(=O)C1=CSC2CC(=O)N12.
What is the InChIKey of 7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide?
The InChIKey is TYSCTURZVDOPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2S/c7-6(10)3-2-11-5-1-4(9)8(3)5/h2,5H,1H2,(H2,7,10).
What are the key properties of 7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide?
7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide has a molecular weight of 170.19 g/mol, XLogP of -0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxamide is sourced from PubChem (CID 67837828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).