N-ethyl-N-methyl-4-[(R)-pyridin-3-yl-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]benzamide

C24H29N5OS — CID 57401137

IUPACN-ethyl-N-methyl-4-[(R)-pyridin-3-yl-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]benzamide
SMILESCCN(C)C(=O)c1ccc([C@H](c2cccnc2)N2CCN(Cc3cscn3)CC2)cc1
InChIInChI=1S/C24H29N5OS/c1-3-27(2)24(30)20-8-6-19(7-9-20)23(21-5-4-10-25-15-21)29-13-11-28(12-14-29)16-22-17-31-18-26-22/h4-10,15,17-18,23H,3,11-14,16H2,1-2H3/t23-/m1/s1
InChIKeyDUTWTXOACRXDLB-HSZRJFAPSA-N
MW435.60 g/mol
LogP3.54
Rot. Bonds7

About N-ethyl-N-methyl-4-[(R)-pyridin-3-yl-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]benzamide

N-ethyl-N-methyl-4-[(R)-pyridin-3-yl-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]benzamide (PubChem CID 57401137) has the molecular formula C24H29N5OS and a molecular weight of 435.60 g/mol. Its IUPAC name is N-ethyl-N-methyl-4-[(R)-pyridin-3-yl-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-4-[(R)-pyridin-3-yl-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]benzamide
PubChem CID57401137
Molecular FormulaC24H29N5OS
Molecular Weight435.60 g/mol
Exact Mass435.21
IUPAC NameN-ethyl-N-methyl-4-[(R)-pyridin-3-yl-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]benzamide
SMILESCCN(C)C(=O)c1ccc([C@H](c2cccnc2)N2CCN(Cc3cscn3)CC2)cc1
InChIInChI=1S/C24H29N5OS/c1-3-27(2)24(30)20-8-6-19(7-9-20)23(21-5-4-10-25-15-21)29-13-11-28(12-14-29)16-22-17-31-18-26-22/h4-10,15,17-18,23H,3,11-14,16H2,1-2H3/t23-/m1/s1
InChIKeyDUTWTXOACRXDLB-HSZRJFAPSA-N
XLogP3.54
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.60
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Azd-7268
CID 24772484
N4-benzyl-2-(3-pyridyl)-1,3-thiazole-4-carboxamide
CID 2824333
4-Amino-6-(4-methylpiperazin-1-yl)-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10127012
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
N-(2-aminophenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 25023854
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
N-[4-(propan-2-yl)phenyl]-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644838
N-(3-methylphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644843

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-4-[(R)-pyridin-3-yl-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]benzamide?
The IUPAC name of N-ethyl-N-methyl-4-[(R)-pyridin-3-yl-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]benzamide (CID 57401137) is N-ethyl-N-methyl-4-[(R)-pyridin-3-yl-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for N-ethyl-N-methyl-4-[(R)-pyridin-3-yl-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]benzamide?
The canonical SMILES for N-ethyl-N-methyl-4-[(R)-pyridin-3-yl-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]benzamide is CCN(C)C(=O)c1ccc([C@H](c2cccnc2)N2CCN(Cc3cscn3)CC2)cc1.
What is the InChIKey of N-ethyl-N-methyl-4-[(R)-pyridin-3-yl-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]benzamide?
The InChIKey is DUTWTXOACRXDLB-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H29N5OS/c1-3-27(2)24(30)20-8-6-19(7-9-20)23(21-5-4-10-25-15-21)29-13-11-28(12-14-29)16-22-17-31-18-26-22/h4-10,15,17-18,23H,3,11-14,16H2,1-2H3/t23-/m1/s1.
What are the key properties of N-ethyl-N-methyl-4-[(R)-pyridin-3-yl-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]benzamide?
N-ethyl-N-methyl-4-[(R)-pyridin-3-yl-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]benzamide has a molecular weight of 435.60 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-4-[(R)-pyridin-3-yl-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 57401137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).