4-[[[1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-methylamino]methyl]benzonitrile

C20H26N4OS — CID 118190497

IUPAC4-[[[1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-methylamino]methyl]benzonitrile
SMILESCCOc1ncc(CN2CCC(N(C)Cc3ccc(C#N)cc3)CC2)s1
InChIInChI=1S/C20H26N4OS/c1-3-25-20-22-13-19(26-20)15-24-10-8-18(9-11-24)23(2)14-17-6-4-16(12-21)5-7-17/h4-7,13,18H,3,8-11,14-15H2,1-2H3
InChIKeyDIUYDZICEISEBM-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.51
Rot. Bonds7

About 4-[[[1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-methylamino]methyl]benzonitrile

4-[[[1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-methylamino]methyl]benzonitrile (PubChem CID 118190497) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 4-[[[1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[[1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-methylamino]methyl]benzonitrile
PubChem CID118190497
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name4-[[[1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-methylamino]methyl]benzonitrile
SMILESCCOc1ncc(CN2CCC(N(C)Cc3ccc(C#N)cc3)CC2)s1
InChIInChI=1S/C20H26N4OS/c1-3-25-20-22-13-19(26-20)15-24-10-8-18(9-11-24)23(2)14-17-6-4-16(12-21)5-7-17/h4-7,13,18H,3,8-11,14-15H2,1-2H3
InChIKeyDIUYDZICEISEBM-UHFFFAOYSA-N
XLogP3.51
TPSA52.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[[1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-methylamino]methyl]benzonitrile with MolForge

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Related Compounds

3-chloro-2-[[[1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-methylamino]methyl]benzaldehyde
CID 122643474
5-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]pyridin-2-amine
CID 55046277
4-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]benzonitrile
CID 79122853
4-[[[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-methylamino]methyl]benzonitrile
CID 118190217
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 71844487
4-[[methyl-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]amino]methyl]benzonitrile
CID 91810394
5-[[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]methyl]thiophene-3-carbonitrile
CID 129002543
4-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]methyl]benzonitrile
CID 75373779
4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]benzonitrile
CID 43410411
2-(1-tert-butylpiperidin-4-yl)oxy-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 58456959
N-[(2,5-dichlorophenyl)methyl]-N-methyl-1-[(2-methylsulfanyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
CID 118190501
4-[[3-(dimethylamino)azetidin-1-yl]methyl]benzonitrile
CID 118001381

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-methylamino]methyl]benzonitrile?
The IUPAC name of 4-[[[1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-methylamino]methyl]benzonitrile (CID 118190497) is 4-[[[1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-methylamino]methyl]benzonitrile.
What is the SMILES notation for 4-[[[1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-methylamino]methyl]benzonitrile?
The canonical SMILES for 4-[[[1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-methylamino]methyl]benzonitrile is CCOc1ncc(CN2CCC(N(C)Cc3ccc(C#N)cc3)CC2)s1.
What is the InChIKey of 4-[[[1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-methylamino]methyl]benzonitrile?
The InChIKey is DIUYDZICEISEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-3-25-20-22-13-19(26-20)15-24-10-8-18(9-11-24)23(2)14-17-6-4-16(12-21)5-7-17/h4-7,13,18H,3,8-11,14-15H2,1-2H3.
What are the key properties of 4-[[[1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-methylamino]methyl]benzonitrile?
4-[[[1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-methylamino]methyl]benzonitrile has a molecular weight of 370.52 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-[(2-ethoxy-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-methylamino]methyl]benzonitrile is sourced from PubChem (CID 118190497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).