2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,3-thiazole-5-sulfonamide

C13H15N3O4S2 — CID 126825355

IUPAC2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,3-thiazole-5-sulfonamide
SMILESNc1ncc(S(=O)(=O)NCCc2ccc3c(c2)OCCO3)s1
InChIInChI=1S/C13H15N3O4S2/c14-13-15-8-12(21-13)22(17,18)16-4-3-9-1-2-10-11(7-9)20-6-5-19-10/h1-2,7-8,16H,3-6H2,(H2,14,15)
InChIKeyTYCKVHUNHOFZAR-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.02
Rot. Bonds5

About 2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,3-thiazole-5-sulfonamide

2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,3-thiazole-5-sulfonamide (PubChem CID 126825355) has the molecular formula C13H15N3O4S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,3-thiazole-5-sulfonamide
PubChem CID126825355
Molecular FormulaC13H15N3O4S2
Molecular Weight341.41 g/mol
Exact Mass341.05
IUPAC Name2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,3-thiazole-5-sulfonamide
SMILESNc1ncc(S(=O)(=O)NCCc2ccc3c(c2)OCCO3)s1
InChIInChI=1S/C13H15N3O4S2/c14-13-15-8-12(21-13)22(17,18)16-4-3-9-1-2-10-11(7-9)20-6-5-19-10/h1-2,7-8,16H,3-6H2,(H2,14,15)
InChIKeyTYCKVHUNHOFZAR-UHFFFAOYSA-N
XLogP1.02
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,3-thiazole-5-sulfonamide (CID 126825355) is 2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,3-thiazole-5-sulfonamide is Nc1ncc(S(=O)(=O)NCCc2ccc3c(c2)OCCO3)s1.
What is the InChIKey of 2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is TYCKVHUNHOFZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S2/c14-13-15-8-12(21-13)22(17,18)16-4-3-9-1-2-10-11(7-9)20-6-5-19-10/h1-2,7-8,16H,3-6H2,(H2,14,15).
What are the key properties of 2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,3-thiazole-5-sulfonamide?
2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 341.41 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 126825355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).