2-(1,3-benzothiazol-2-ylsulfanyl)-1-morpholin-4-ylethanone

C13H14N2O2S2 — CID 660098

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-1-morpholin-4-ylethanone
SMILESO=C(CSc1nc2ccccc2s1)N1CCOCC1
InChIInChI=1S/C13H14N2O2S2/c16-12(15-5-7-17-8-6-15)9-18-13-14-10-3-1-2-4-11(10)19-13/h1-4H,5-9H2
InChIKeyDFUSVDDRPXIIHL-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.25
Rot. Bonds3

About 2-(1,3-benzothiazol-2-ylsulfanyl)-1-morpholin-4-ylethanone

2-(1,3-benzothiazol-2-ylsulfanyl)-1-morpholin-4-ylethanone (PubChem CID 660098) has the molecular formula C13H14N2O2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-1-morpholin-4-ylethanone
PubChem CID660098
Molecular FormulaC13H14N2O2S2
Molecular Weight294.40 g/mol
Exact Mass294.05
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-1-morpholin-4-ylethanone
SMILESO=C(CSc1nc2ccccc2s1)N1CCOCC1
InChIInChI=1S/C13H14N2O2S2/c16-12(15-5-7-17-8-6-15)9-18-13-14-10-3-1-2-4-11(10)19-13/h1-4H,5-9H2
InChIKeyDFUSVDDRPXIIHL-UHFFFAOYSA-N
XLogP2.25
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-1-morpholin-4-ylethanone (CID 660098) is 2-(1,3-benzothiazol-2-ylsulfanyl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-1-morpholin-4-ylethanone is O=C(CSc1nc2ccccc2s1)N1CCOCC1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-1-morpholin-4-ylethanone?
The InChIKey is DFUSVDDRPXIIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S2/c16-12(15-5-7-17-8-6-15)9-18-13-14-10-3-1-2-4-11(10)19-13/h1-4H,5-9H2.
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-1-morpholin-4-ylethanone?
2-(1,3-benzothiazol-2-ylsulfanyl)-1-morpholin-4-ylethanone has a molecular weight of 294.40 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 660098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).