4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine

C18H16N2O3S — CID 2542233

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1cccc(Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1
InChIInChI=1S/C18H16N2O3S/c1-21-14-4-2-3-13(10-14)19-18-20-15(11-24-18)12-5-6-16-17(9-12)23-8-7-22-16/h2-6,9-11H,7-8H2,1H3,(H,19,20)
InChIKeyDMMUXKVBRCWUFK-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.33
Rot. Bonds4

About 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 2542233) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID2542233
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1cccc(Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1
InChIInChI=1S/C18H16N2O3S/c1-21-14-4-2-3-13(10-14)19-18-20-15(11-24-18)12-5-6-16-17(9-12)23-8-7-22-16/h2-6,9-11H,7-8H2,1H3,(H,19,20)
InChIKeyDMMUXKVBRCWUFK-UHFFFAOYSA-N
XLogP4.33
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine (CID 2542233) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine is COc1cccc(Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is DMMUXKVBRCWUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-21-14-4-2-3-13(10-14)19-18-20-15(11-24-18)12-5-6-16-17(9-12)23-8-7-22-16/h2-6,9-11H,7-8H2,1H3,(H,19,20).
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 340.40 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2542233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).