N-[[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide

C21H24N4O3S — CID 45191184

IUPACN-[[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1nc2sccn2c1CN1CCCC(CNC(=O)c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C21H24N4O3S/c1-14-17(25-7-8-29-21(25)23-14)12-24-6-2-3-15(11-24)10-22-20(26)16-4-5-18-19(9-16)28-13-27-18/h4-5,7-9,15H,2-3,6,10-13H2,1H3,(H,22,26)
InChIKeyWSWIGVMBFVSGSJ-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.07
Rot. Bonds5

About N-[[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide

N-[[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 45191184) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-[[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID45191184
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC NameN-[[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1nc2sccn2c1CN1CCCC(CNC(=O)c2ccc3c(c2)OCO3)C1
InChIInChI=1S/C21H24N4O3S/c1-14-17(25-7-8-29-21(25)23-14)12-24-6-2-3-15(11-24)10-22-20(26)16-4-5-18-19(9-16)28-13-27-18/h4-5,7-9,15H,2-3,6,10-13H2,1H3,(H,22,26)
InChIKeyWSWIGVMBFVSGSJ-UHFFFAOYSA-N
XLogP3.07
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 45232644
N-(7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-1,3-benzodioxole-5-carboxamide
CID 16933442
N-[[1-[[4-(2-oxoimidazolidin-1-yl)phenyl]methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 45222250
N-[[(3R)-1-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 25287935
1-methyl-2-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyridine-4-carboxamide
CID 49214790
N-[[1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 72895304
N-(1,3-benzodioxol-5-ylmethyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 92684898
N-[(4-hydroxycyclohexyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 106123022
N-(cyclopentylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 39212067
5-[[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole
CID 110104090
N-[(1-ethylpiperidin-3-yl)methyl]-4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide
CID 56707406
tert-butyl (3S)-3-[(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)methyl]piperidine-1-carboxylate
CID 97172233

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide (CID 45191184) is N-[[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide is Cc1nc2sccn2c1CN1CCCC(CNC(=O)c2ccc3c(c2)OCO3)C1.
What is the InChIKey of N-[[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is WSWIGVMBFVSGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-14-17(25-7-8-29-21(25)23-14)12-24-6-2-3-15(11-24)10-22-20(26)16-4-5-18-19(9-16)28-13-27-18/h4-5,7-9,15H,2-3,6,10-13H2,1H3,(H,22,26).
What are the key properties of N-[[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide?
N-[[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-3-yl]methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 45191184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).