N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C15H19N3O2S — CID 65271372

IUPACN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NCCc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C15H19N3O2S/c1-10(2)14-17-15(21-18-14)16-6-5-11-3-4-12-13(9-11)20-8-7-19-12/h3-4,9-10H,5-8H2,1-2H3,(H,16,17,18)
InChIKeyNJFMMVWMXBWGGF-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.09
Rot. Bonds5

About N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65271372) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65271372
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NCCc2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C15H19N3O2S/c1-10(2)14-17-15(21-18-14)16-6-5-11-3-4-12-13(9-11)20-8-7-19-12/h3-4,9-10H,5-8H2,1-2H3,(H,16,17,18)
InChIKeyNJFMMVWMXBWGGF-UHFFFAOYSA-N
XLogP3.09
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 133358618
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65271428
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-ethyl-1,3-thiazol-2-amine
CID 62962812
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 133358615
N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 21081378
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]propan-2-ol
CID 60884759
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-methylpyridin-2-amine
CID 60876054
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206548
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 43824553
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpentan-1-amine
CID 43093927
1-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-iodobenzene-1,2-diamine
CID 66066056
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methoxybutan-2-amine
CID 115706288

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 65271372) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)c1nsc(NCCc2ccc3c(c2)OCCO3)n1.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is NJFMMVWMXBWGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10(2)14-17-15(21-18-14)16-6-5-11-3-4-12-13(9-11)20-8-7-19-12/h3-4,9-10H,5-8H2,1-2H3,(H,16,17,18).
What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 305.40 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).