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

C18H25N5OS — CID 72838099

IUPAC(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone
SMILESCCCCN1CCc2[nH]cnc2C12CCN(C(=O)c1cscn1)CC2
InChIInChI=1S/C18H25N5OS/c1-2-3-7-23-8-4-14-16(20-12-19-14)18(23)5-9-22(10-6-18)17(24)15-11-25-13-21-15/h11-13H,2-10H2,1H3,(H,19,20)
InChIKeyTVJGAWPYDLWUOH-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.66
Rot. Bonds4

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

(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone (PubChem CID 72838099) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is (5-butylspiro[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-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone
PubChem CID72838099
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone
SMILESCCCCN1CCc2[nH]cnc2C12CCN(C(=O)c1cscn1)CC2
InChIInChI=1S/C18H25N5OS/c1-2-3-7-23-8-4-14-16(20-12-19-14)18(23)5-9-22(10-6-18)17(24)15-11-25-13-21-15/h11-13H,2-10H2,1H3,(H,19,20)
InChIKeyTVJGAWPYDLWUOH-UHFFFAOYSA-N
XLogP2.66
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[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
2-methyl-6-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-carbonyl)pyridazin-3-one
CID 72860794
(2R)-1-(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-pyrazol-1-ylpropan-1-one
CID 97145593
(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72862783
imidazo[1,2-a]pyrimidin-2-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
CID 72940220
[3-(dimethylamino)phenyl]-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
CID 72906423
(1-ethyl-5-methylpyrazol-4-yl)-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
CID 72890289
(4-hydroxy-3-methylphenyl)-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
CID 72843067
5-butyl-1'-(4,6-dimethylpyrimidin-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72874223
2-(4,5-dimethylimidazol-1-yl)-1-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone
CID 72862494
[1-(difluoromethyl)pyrazol-3-yl]-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
CID 72901157
1-benzofuran-3-yl-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
CID 72919666

Frequently Asked Questions

What is the IUPAC name of (5-butylspiro[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-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone (CID 72838099) is (5-butylspiro[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-butylspiro[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-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone is CCCCN1CCc2[nH]cnc2C12CCN(C(=O)c1cscn1)CC2.
What is the InChIKey of (5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone?
The InChIKey is TVJGAWPYDLWUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-2-3-7-23-8-4-14-16(20-12-19-14)18(23)5-9-22(10-6-18)17(24)15-11-25-13-21-15/h11-13H,2-10H2,1H3,(H,19,20).
What are the key properties of (5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(1,3-thiazol-4-yl)methanone?
(5-butylspiro[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 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butylspiro[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 72838099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).