4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-amine

C12H12N2O2S — CID 6494193

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C12H12N2O2S/c1-7-11(14-12(13)17-7)8-2-3-9-10(6-8)16-5-4-15-9/h2-3,6H,4-5H2,1H3,(H2,13,14)
InChIKeyGZUXSYWANTVMEE-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.47
Rot. Bonds1

About 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-amine

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 6494193) 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-6-yl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-amine
PubChem CID6494193
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1sc(N)nc1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C12H12N2O2S/c1-7-11(14-12(13)17-7)8-2-3-9-10(6-8)16-5-4-15-9/h2-3,6H,4-5H2,1H3,(H2,13,14)
InChIKeyGZUXSYWANTVMEE-UHFFFAOYSA-N
XLogP2.47
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.47
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-6-yl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-amine (CID 6494193) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-amine is Cc1sc(N)nc1-c1ccc2c(c1)OCCO2.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is GZUXSYWANTVMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-7-11(14-12(13)17-7)8-2-3-9-10(6-8)16-5-4-15-9/h2-3,6H,4-5H2,1H3,(H2,13,14).
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-amine?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 248.31 g/mol, XLogP of 2.47, 1 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-6-yl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 6494193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).