1,9a-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

C8H9N3OS — CID 123581777

IUPAC1,9a-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESNC(=O)C1=CC=CN2C=CSNC12
InChIInChI=1S/C8H9N3OS/c9-7(12)6-2-1-3-11-4-5-13-10-8(6)11/h1-5,8,10H,(H2,9,12)
InChIKeyLSENEDQJANMMCK-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.28
Rot. Bonds1

About 1,9a-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

1,9a-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (PubChem CID 123581777) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 1,9a-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.

Molecular Properties

Compound Name1,9a-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
PubChem CID123581777
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name1,9a-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
SMILESNC(=O)C1=CC=CN2C=CSNC12
InChIInChI=1S/C8H9N3OS/c9-7(12)6-2-1-3-11-4-5-13-10-8(6)11/h1-5,8,10H,(H2,9,12)
InChIKeyLSENEDQJANMMCK-UHFFFAOYSA-N
XLogP0.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,9a-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The IUPAC name of 1,9a-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide (CID 123581777) is 1,9a-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide.
What is the SMILES notation for 1,9a-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The canonical SMILES for 1,9a-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is NC(=O)C1=CC=CN2C=CSNC12.
What is the InChIKey of 1,9a-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
The InChIKey is LSENEDQJANMMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c9-7(12)6-2-1-3-11-4-5-13-10-8(6)11/h1-5,8,10H,(H2,9,12).
What are the key properties of 1,9a-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide?
1,9a-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide has a molecular weight of 195.25 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9a-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide is sourced from PubChem (CID 123581777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).