4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine

C10H8N2O2S — CID 727580

IUPAC4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc3c(c2)OCO3)cs1
InChIInChI=1S/C10H8N2O2S/c11-10-12-7(4-15-10)6-1-2-8-9(3-6)14-5-13-8/h1-4H,5H2,(H2,11,12)
InChIKeyAKVSKDDSOWLASE-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.12
Rot. Bonds1

About 4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine

4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine (PubChem CID 727580) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine
PubChem CID727580
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc3c(c2)OCO3)cs1
InChIInChI=1S/C10H8N2O2S/c11-10-12-7(4-15-10)6-1-2-8-9(3-6)14-5-13-8/h1-4H,5H2,(H2,11,12)
InChIKeyAKVSKDDSOWLASE-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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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine (CID 727580) is 4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine is Nc1nc(-c2ccc3c(c2)OCO3)cs1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is AKVSKDDSOWLASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c11-10-12-7(4-15-10)6-1-2-8-9(3-6)14-5-13-8/h1-4H,5H2,(H2,11,12).
What are the key properties of 4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine?
4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-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 4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 727580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).