4-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1,3-thiazol-2-amine

C12H12N2O2S — CID 138115505

IUPAC4-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(C2COc3ccccc3O2)cs1
InChIInChI=1S/C12H12N2O2S/c1-13-12-14-8(7-17-12)11-6-15-9-4-2-3-5-10(9)16-11/h2-5,7,11H,6H2,1H3,(H,13,14)
InChIKeySFXXBMWYVYOTME-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.70
Rot. Bonds2

About 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1,3-thiazol-2-amine

4-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 138115505) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1,3-thiazol-2-amine
PubChem CID138115505
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(C2COc3ccccc3O2)cs1
InChIInChI=1S/C12H12N2O2S/c1-13-12-14-8(7-17-12)11-6-15-9-4-2-3-5-10(9)16-11/h2-5,7,11H,6H2,1H3,(H,13,14)
InChIKeySFXXBMWYVYOTME-UHFFFAOYSA-N
XLogP2.70
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1,3-thiazol-2-amine (CID 138115505) is 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1,3-thiazol-2-amine is CNc1nc(C2COc3ccccc3O2)cs1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is SFXXBMWYVYOTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-13-12-14-8(7-17-12)11-6-15-9-4-2-3-5-10(9)16-11/h2-5,7,11H,6H2,1H3,(H,13,14).
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1,3-thiazol-2-amine?
4-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 248.31 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 138115505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).