N,N-dimethyl-4-[pyridin-2-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide

C24H26N4OS — CID 46869046

IUPACN,N-dimethyl-4-[pyridin-2-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide
SMILESCN(C)C(=O)c1ccc(C(=C2CCN(Cc3cscn3)CC2)c2ccccn2)cc1
InChIInChI=1S/C24H26N4OS/c1-27(2)24(29)20-8-6-18(7-9-20)23(22-5-3-4-12-25-22)19-10-13-28(14-11-19)15-21-16-30-17-26-21/h3-9,12,16-17H,10-11,13-15H2,1-2H3
InChIKeyARTNWBGMVYZVIZ-UHFFFAOYSA-N
MW418.57 g/mol
LogP4.34
Rot. Bonds5

About N,N-dimethyl-4-[pyridin-2-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide

N,N-dimethyl-4-[pyridin-2-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide (PubChem CID 46869046) has the molecular formula C24H26N4OS and a molecular weight of 418.57 g/mol. Its IUPAC name is N,N-dimethyl-4-[pyridin-2-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[pyridin-2-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide
PubChem CID46869046
Molecular FormulaC24H26N4OS
Molecular Weight418.57 g/mol
Exact Mass418.18
IUPAC NameN,N-dimethyl-4-[pyridin-2-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide
SMILESCN(C)C(=O)c1ccc(C(=C2CCN(Cc3cscn3)CC2)c2ccccn2)cc1
InChIInChI=1S/C24H26N4OS/c1-27(2)24(29)20-8-6-18(7-9-20)23(22-5-3-4-12-25-22)19-10-13-28(14-11-19)15-21-16-30-17-26-21/h3-9,12,16-17H,10-11,13-15H2,1-2H3
InChIKeyARTNWBGMVYZVIZ-UHFFFAOYSA-N
XLogP4.34
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.57
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Azd-7268
CID 24772484
7-[(4-Methylpiperazin-1-yl)carbonyl]-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10194805
N,N-diethyl-2-oxo-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinoline-5-carboxamide
CID 10237742
7-(Piperidin-1-ylcarbonyl)-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 22638596
N-[2-(dimethylamino)ethyl]-N-ethyl-2-oxo-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinoline-7-carboxamide
CID 23527337
Pyrrolidin-1-yl-[4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]phenyl]methanone
CID 57394197
Morpholin-4-yl-[4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]phenyl]methanone
CID 57395267
N-ethyl-N-methyl-4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 57397762
Azetidin-1-yl-[4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]phenyl]methanone
CID 57399428
N,N-dimethyl-4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide
CID 57399429
9-(4-Methyl-thiazol-2-yl)-11-pyridin-4-yl-6,7-dihydro-5H-2,7a-diaza-dibenzo[a,c]cyclohepten-8-one
CID 10221761
13-(4-Methyl-1,3-thiazol-2-yl)-15-phenyl-4,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,13-pentaen-12-one
CID 10883539

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[pyridin-2-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide?
The IUPAC name of N,N-dimethyl-4-[pyridin-2-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide (CID 46869046) is N,N-dimethyl-4-[pyridin-2-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[pyridin-2-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[pyridin-2-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide is CN(C)C(=O)c1ccc(C(=C2CCN(Cc3cscn3)CC2)c2ccccn2)cc1.
What is the InChIKey of N,N-dimethyl-4-[pyridin-2-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide?
The InChIKey is ARTNWBGMVYZVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4OS/c1-27(2)24(29)20-8-6-18(7-9-20)23(22-5-3-4-12-25-22)19-10-13-28(14-11-19)15-21-16-30-17-26-21/h3-9,12,16-17H,10-11,13-15H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[pyridin-2-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide?
N,N-dimethyl-4-[pyridin-2-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide has a molecular weight of 418.57 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[pyridin-2-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide is sourced from PubChem (CID 46869046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).