3-(1,3-benzodioxol-5-yl)-1,2-thiazol-5-amine

C10H8N2O2S — CID 83910432

IUPAC3-(1,3-benzodioxol-5-yl)-1,2-thiazol-5-amine
SMILESNc1cc(-c2ccc3c(c2)OCO3)ns1
InChIInChI=1S/C10H8N2O2S/c11-10-4-7(12-15-10)6-1-2-8-9(3-6)14-5-13-8/h1-4H,5,11H2
InChIKeyDUBMQUBKCOTJPM-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.12
Rot. Bonds1

About 3-(1,3-benzodioxol-5-yl)-1,2-thiazol-5-amine

3-(1,3-benzodioxol-5-yl)-1,2-thiazol-5-amine (PubChem CID 83910432) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-1,2-thiazol-5-amine
PubChem CID83910432
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name3-(1,3-benzodioxol-5-yl)-1,2-thiazol-5-amine
SMILESNc1cc(-c2ccc3c(c2)OCO3)ns1
InChIInChI=1S/C10H8N2O2S/c11-10-4-7(12-15-10)6-1-2-8-9(3-6)14-5-13-8/h1-4H,5,11H2
InChIKeyDUBMQUBKCOTJPM-UHFFFAOYSA-N
XLogP2.12
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1,3-benzodioxol-5-yl)pyridin-3-amine
CID 82394049
3-(1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine
CID 43158870
5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
CID 19616634
4-(1,3-benzodioxol-5-yl)benzene-1,2-diamine
CID 22478061
5-(1,3-benzodioxol-5-yl)pyrimidin-2-amine
CID 122200432
[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methanamine
CID 83918221
4-(1,3-benzodioxol-5-yl)pyridin-2-amine
CID 50951571
2-(1,3-benzodioxol-5-yl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole
CID 2811159
4-(1,3-benzodioxol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 120558243
5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-amine
CID 63692453
5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-amine
CID 116827033
2-(1,3-benzodioxol-5-yl)-4-methylpyridine
CID 175812188

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-1,2-thiazol-5-amine?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-1,2-thiazol-5-amine (CID 83910432) is 3-(1,3-benzodioxol-5-yl)-1,2-thiazol-5-amine.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-1,2-thiazol-5-amine?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-1,2-thiazol-5-amine is Nc1cc(-c2ccc3c(c2)OCO3)ns1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-1,2-thiazol-5-amine?
The InChIKey is DUBMQUBKCOTJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c11-10-4-7(12-15-10)6-1-2-8-9(3-6)14-5-13-8/h1-4H,5,11H2.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-1,2-thiazol-5-amine?
3-(1,3-benzodioxol-5-yl)-1,2-thiazol-5-amine has a molecular weight of 220.25 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-1,2-thiazol-5-amine is sourced from PubChem (CID 83910432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).