N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide

C19H19N3O3S2 — CID 50841142

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cc2nc(N3CCCCC3)sc2s1
InChIInChI=1S/C19H19N3O3S2/c23-17(20-12-4-5-14-15(10-12)25-9-8-24-14)16-11-13-18(26-16)27-19(21-13)22-6-2-1-3-7-22/h4-5,10-11H,1-3,6-9H2,(H,20,23)
InChIKeyRMCWMAGAIUREPP-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.37
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide (PubChem CID 50841142) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide
PubChem CID50841142
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cc2nc(N3CCCCC3)sc2s1
InChIInChI=1S/C19H19N3O3S2/c23-17(20-12-4-5-14-15(10-12)25-9-8-24-14)16-11-13-18(26-16)27-19(21-13)22-6-2-1-3-7-22/h4-5,10-11H,1-3,6-9H2,(H,20,23)
InChIKeyRMCWMAGAIUREPP-UHFFFAOYSA-N
XLogP4.37
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-cyanophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide
CID 118618312
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)urea
CID 22510506
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-piperidin-1-ylquinoxaline-2-carboxamide
CID 46365174
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(7-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50784906
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 1245498
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 93068908
N-[4-(azepan-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7582189
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53108518
5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80619134
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 50816257
2,6-dichloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 777312
5-(1,3-benzodioxol-5-ylcarbamoyl)thiophene-2-carboxylic acid
CID 43414348

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide (CID 50841142) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1cc2nc(N3CCCCC3)sc2s1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide?
The InChIKey is RMCWMAGAIUREPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c23-17(20-12-4-5-14-15(10-12)25-9-8-24-14)16-11-13-18(26-16)27-19(21-13)22-6-2-1-3-7-22/h4-5,10-11H,1-3,6-9H2,(H,20,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 50841142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).