N-(1,3-benzodioxol-4-ylmethyl)thiadiazol-5-amine

C10H9N3O2S — CID 107234328

IUPACN-(1,3-benzodioxol-4-ylmethyl)thiadiazol-5-amine
SMILESc1cc(CNc2cnns2)c2c(c1)OCO2
InChIInChI=1S/C10H9N3O2S/c1-2-7(4-11-9-5-12-13-16-9)10-8(3-1)14-6-15-10/h1-3,5,11H,4,6H2
InChIKeyYPVGNZHYFSSVEP-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.88
Rot. Bonds3

About N-(1,3-benzodioxol-4-ylmethyl)thiadiazol-5-amine

N-(1,3-benzodioxol-4-ylmethyl)thiadiazol-5-amine (PubChem CID 107234328) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)thiadiazol-5-amine
PubChem CID107234328
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)thiadiazol-5-amine
SMILESc1cc(CNc2cnns2)c2c(c1)OCO2
InChIInChI=1S/C10H9N3O2S/c1-2-7(4-11-9-5-12-13-16-9)10-8(3-1)14-6-15-10/h1-3,5,11H,4,6H2
InChIKeyYPVGNZHYFSSVEP-UHFFFAOYSA-N
XLogP1.88
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)thiadiazol-5-amine
CID 107234461
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]thiadiazol-5-amine
CID 107234323
N-(1,3-benzodioxol-4-ylmethyl)-1H-pyrazol-4-amine
CID 43583965
N-(1,3-benzodioxol-4-ylmethyl)-2,6-dichloroaniline
CID 65467779
N-(1,3-benzodioxol-4-ylmethyl)-4-iodoaniline
CID 43583834
N-(1,3-benzodioxol-4-ylmethyl)-4-methylpyridin-3-amine
CID 55202653
3-(1,3-benzodioxol-4-ylmethylamino)-2,3-dimethylbutan-2-ol
CID 114155406
N-(1,3-benzodioxol-4-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79357909
N-(1,3-benzodioxol-4-ylmethyl)-5-phenylpyridin-2-amine
CID 112844052
1-(1,3-benzodioxol-4-yl)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]methanamine
CID 104878834
N-(1,3-benzodioxol-4-ylmethyl)-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114383227
1-(1,3-benzodioxol-4-yl)-N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]methanamine
CID 56818291

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)thiadiazol-5-amine?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)thiadiazol-5-amine (CID 107234328) is N-(1,3-benzodioxol-4-ylmethyl)thiadiazol-5-amine.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)thiadiazol-5-amine?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)thiadiazol-5-amine is c1cc(CNc2cnns2)c2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)thiadiazol-5-amine?
The InChIKey is YPVGNZHYFSSVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-2-7(4-11-9-5-12-13-16-9)10-8(3-1)14-6-15-10/h1-3,5,11H,4,6H2.
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)thiadiazol-5-amine?
N-(1,3-benzodioxol-4-ylmethyl)thiadiazol-5-amine has a molecular weight of 235.27 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)thiadiazol-5-amine is sourced from PubChem (CID 107234328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).