[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-(1,3-thiazol-4-yl)methanone

C18H25N5OS — CID 72879660

IUPAC[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-(1,3-thiazol-4-yl)methanone
SMILESCC(C)CN1CCc2[nH]cnc2C12CCN(C(=O)c1cscn1)CC2
InChIInChI=1S/C18H25N5OS/c1-13(2)9-23-6-3-14-16(20-11-19-14)18(23)4-7-22(8-5-18)17(24)15-10-25-12-21-15/h10-13H,3-9H2,1-2H3,(H,19,20)
InChIKeyXGHILXLYSBUXMI-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.51
Rot. Bonds3

About [5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-(1,3-thiazol-4-yl)methanone

[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 72879660) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is [5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID72879660
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-(1,3-thiazol-4-yl)methanone
SMILESCC(C)CN1CCc2[nH]cnc2C12CCN(C(=O)c1cscn1)CC2
InChIInChI=1S/C18H25N5OS/c1-13(2)9-23-6-3-14-16(20-11-19-14)18(23)4-7-22(8-5-18)17(24)15-10-25-12-21-15/h10-13H,3-9H2,1-2H3,(H,19,20)
InChIKeyXGHILXLYSBUXMI-UHFFFAOYSA-N
XLogP2.51
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-(1,3-thiazol-4-yl)methanone 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 [5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-(1,3-thiazol-4-yl)methanone (CID 72879660) is [5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-(1,3-thiazol-4-yl)methanone is CC(C)CN1CCc2[nH]cnc2C12CCN(C(=O)c1cscn1)CC2.
What is the InChIKey of [5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is XGHILXLYSBUXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-13(2)9-23-6-3-14-16(20-11-19-14)18(23)4-7-22(8-5-18)17(24)15-10-25-12-21-15/h10-13H,3-9H2,1-2H3,(H,19,20).
What are the key properties of [5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-(1,3-thiazol-4-yl)methanone?
[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 359.50 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 72879660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).