2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride

C20H27Cl2N3O3S — CID 119824275

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCCCN(C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C20H25N3O3S.2ClH/c1-2-9-23(15-5-7-21-8-6-15)20(24)16-13-27-19(22-16)14-3-4-17-18(12-14)26-11-10-25-17;;/h3-4,12-13,15,21H,2,5-11H2,1H3;2*1H
InChIKeyDOMMHFGIOKXWNG-UHFFFAOYSA-N
MW460.43 g/mol
LogP4.03
Rot. Bonds5

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 119824275) has the molecular formula C20H27Cl2N3O3S and a molecular weight of 460.43 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID119824275
Molecular FormulaC20H27Cl2N3O3S
Molecular Weight460.43 g/mol
Exact Mass459.12
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCCCN(C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C20H25N3O3S.2ClH/c1-2-9-23(15-5-7-21-8-6-15)20(24)16-13-27-19(22-16)14-3-4-17-18(12-14)26-11-10-25-17;;/h3-4,12-13,15,21H,2,5-11H2,1H3;2*1H
InChIKeyDOMMHFGIOKXWNG-UHFFFAOYSA-N
XLogP4.03
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-piperidin-4-yl-N-propyl-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 166298535
2-(3-chlorophenyl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119824421
2-[cyclopropyl-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 122067342
3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carbonyl]-methylamino]propanoic acid
CID 119362392
2-benzyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide
CID 119823662
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120943497
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(methylamino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119501589
N-(2-amino-2-ethylbutyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide
CID 119641293
1,4-diazepan-1-yl-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]methanone
CID 119415859
5-(methoxymethyl)-N-piperidin-4-yl-N-propyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119824672
N-propyl-2-pyrazin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119530984
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119456827

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride (CID 119824275) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride is CCCN(C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1)C1CCNCC1.Cl.Cl.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is DOMMHFGIOKXWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S.2ClH/c1-2-9-23(15-5-7-21-8-6-15)20(24)16-13-27-19(22-16)14-3-4-17-18(12-14)26-11-10-25-17;;/h3-4,12-13,15,21H,2,5-11H2,1H3;2*1H.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 460.43 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119824275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).