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

C16H21N5OS — CID 72904386

IUPAC1-[1'-(1,3-thiazol-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
SMILESCCC(=O)N1CCc2[nH]cnc2C12CCN(c1nccs1)CC2
InChIInChI=1S/C16H21N5OS/c1-2-13(22)21-7-3-12-14(19-11-18-12)16(21)4-8-20(9-5-16)15-17-6-10-23-15/h6,10-11H,2-5,7-9H2,1H3,(H,18,19)
InChIKeyFCXAPBYTBINILZ-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.16
Rot. Bonds2

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

1-[1'-(1,3-thiazol-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one (PubChem CID 72904386) has the molecular formula C16H21N5OS and a molecular weight of 331.44 g/mol. Its IUPAC name is 1-[1'-(1,3-thiazol-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[1'-(1,3-thiazol-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
PubChem CID72904386
Molecular FormulaC16H21N5OS
Molecular Weight331.44 g/mol
Exact Mass331.15
IUPAC Name1-[1'-(1,3-thiazol-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
SMILESCCC(=O)N1CCc2[nH]cnc2C12CCN(c1nccs1)CC2
InChIInChI=1S/C16H21N5OS/c1-2-13(22)21-7-3-12-14(19-11-18-12)16(21)4-8-20(9-5-16)15-17-6-10-23-15/h6,10-11H,2-5,7-9H2,1H3,(H,18,19)
InChIKeyFCXAPBYTBINILZ-UHFFFAOYSA-N
XLogP2.16
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1'-(1,3-thiazol-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?
The IUPAC name of 1-[1'-(1,3-thiazol-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one (CID 72904386) is 1-[1'-(1,3-thiazol-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one.
What is the SMILES notation for 1-[1'-(1,3-thiazol-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?
The canonical SMILES for 1-[1'-(1,3-thiazol-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one is CCC(=O)N1CCc2[nH]cnc2C12CCN(c1nccs1)CC2.
What is the InChIKey of 1-[1'-(1,3-thiazol-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?
The InChIKey is FCXAPBYTBINILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-2-13(22)21-7-3-12-14(19-11-18-12)16(21)4-8-20(9-5-16)15-17-6-10-23-15/h6,10-11H,2-5,7-9H2,1H3,(H,18,19).
What are the key properties of 1-[1'-(1,3-thiazol-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?
1-[1'-(1,3-thiazol-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one has a molecular weight of 331.44 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1'-(1,3-thiazol-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one is sourced from PubChem (CID 72904386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).