1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrole-2,5-dione

C10H9N3O2S — CID 61349400

IUPAC1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1nc2c(s1)CNCC2
InChIInChI=1S/C10H9N3O2S/c14-8-1-2-9(15)13(8)10-12-6-3-4-11-5-7(6)16-10/h1-2,11H,3-5H2
InChIKeyFPAGKEGXLIDLPD-UHFFFAOYSA-N
MW235.27 g/mol
LogP0.22
Rot. Bonds1

About 1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrole-2,5-dione

1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrole-2,5-dione (PubChem CID 61349400) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrole-2,5-dione
PubChem CID61349400
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1c1nc2c(s1)CNCC2
InChIInChI=1S/C10H9N3O2S/c14-8-1-2-9(15)13(8)10-12-6-3-4-11-5-7(6)16-10/h1-2,11H,3-5H2
InChIKeyFPAGKEGXLIDLPD-UHFFFAOYSA-N
XLogP0.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrole-2,5-dione (CID 61349400) is 1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrole-2,5-dione is O=C1C=CC(=O)N1c1nc2c(s1)CNCC2.
What is the InChIKey of 1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrole-2,5-dione?
The InChIKey is FPAGKEGXLIDLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c14-8-1-2-9(15)13(8)10-12-6-3-4-11-5-7(6)16-10/h1-2,11H,3-5H2.
What are the key properties of 1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrole-2,5-dione?
1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrole-2,5-dione has a molecular weight of 235.27 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrrole-2,5-dione is sourced from PubChem (CID 61349400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).