N-(3-piperidin-1-ylpropyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide

C15H24N4OS — CID 53167871

IUPACN-(3-piperidin-1-ylpropyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1cn2c(n1)CSCC2
InChIInChI=1S/C15H24N4OS/c20-15(13-11-19-9-10-21-12-14(19)17-13)16-5-4-8-18-6-2-1-3-7-18/h11H,1-10,12H2,(H,16,20)
InChIKeyJKALSKDGDUKOQD-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.74
Rot. Bonds5

About N-(3-piperidin-1-ylpropyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide

N-(3-piperidin-1-ylpropyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide (PubChem CID 53167871) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(3-piperidin-1-ylpropyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-piperidin-1-ylpropyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide
PubChem CID53167871
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC NameN-(3-piperidin-1-ylpropyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide
SMILESO=C(NCCCN1CCCCC1)c1cn2c(n1)CSCC2
InChIInChI=1S/C15H24N4OS/c20-15(13-11-19-9-10-21-12-14(19)17-13)16-5-4-8-18-6-2-1-3-7-18/h11H,1-10,12H2,(H,16,20)
InChIKeyJKALSKDGDUKOQD-UHFFFAOYSA-N
XLogP1.74
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-piperidin-1-ylpropyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylpropyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide?
The IUPAC name of N-(3-piperidin-1-ylpropyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide (CID 53167871) is N-(3-piperidin-1-ylpropyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide.
What is the SMILES notation for N-(3-piperidin-1-ylpropyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide?
The canonical SMILES for N-(3-piperidin-1-ylpropyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide is O=C(NCCCN1CCCCC1)c1cn2c(n1)CSCC2.
What is the InChIKey of N-(3-piperidin-1-ylpropyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide?
The InChIKey is JKALSKDGDUKOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c20-15(13-11-19-9-10-21-12-14(19)17-13)16-5-4-8-18-6-2-1-3-7-18/h11H,1-10,12H2,(H,16,20).
What are the key properties of N-(3-piperidin-1-ylpropyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide?
N-(3-piperidin-1-ylpropyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylpropyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide is sourced from PubChem (CID 53167871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).