[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone

C16H16N2O4S — CID 2821632

IUPAC[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1csc(C2COc3ccccc3O2)n1)N1CCOCC1
InChIInChI=1S/C16H16N2O4S/c19-16(18-5-7-20-8-6-18)11-10-23-15(17-11)14-9-21-12-3-1-2-4-13(12)22-14/h1-4,10,14H,5-9H2
InChIKeyIZOPLHPCKOSQQN-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.13
Rot. Bonds2

About [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone

[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 2821632) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
PubChem CID2821632
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1csc(C2COc3ccccc3O2)n1)N1CCOCC1
InChIInChI=1S/C16H16N2O4S/c19-16(18-5-7-20-8-6-18)11-10-23-15(17-11)14-9-21-12-3-1-2-4-13(12)22-14/h1-4,10,14H,5-9H2
InChIKeyIZOPLHPCKOSQQN-UHFFFAOYSA-N
XLogP2.13
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone (CID 2821632) is [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone is O=C(c1csc(C2COc3ccccc3O2)n1)N1CCOCC1.
What is the InChIKey of [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is IZOPLHPCKOSQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c19-16(18-5-7-20-8-6-18)11-10-23-15(17-11)14-9-21-12-3-1-2-4-13(12)22-14/h1-4,10,14H,5-9H2.
What are the key properties of [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 332.38 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 2821632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).