3-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-one

C12H14N2O2S — CID 567689

IUPAC3-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-one
SMILESO=c1sc2ccccc2n1CN1CCOCC1
InChIInChI=1S/C12H14N2O2S/c15-12-14(9-13-5-7-16-8-6-13)10-3-1-2-4-11(10)17-12/h1-4H,5-9H2
InChIKeyMQWXFGYXAVKTCP-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.35
Rot. Bonds2

About 3-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-one

3-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-one (PubChem CID 567689) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-one
PubChem CID567689
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name3-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-one
SMILESO=c1sc2ccccc2n1CN1CCOCC1
InChIInChI=1S/C12H14N2O2S/c15-12-14(9-13-5-7-16-8-6-13)10-3-1-2-4-11(10)17-12/h1-4H,5-9H2
InChIKeyMQWXFGYXAVKTCP-UHFFFAOYSA-N
XLogP1.35
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-one?
The IUPAC name of 3-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-one (CID 567689) is 3-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-one.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-one?
The canonical SMILES for 3-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-one is O=c1sc2ccccc2n1CN1CCOCC1.
What is the InChIKey of 3-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-one?
The InChIKey is MQWXFGYXAVKTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c15-12-14(9-13-5-7-16-8-6-13)10-3-1-2-4-11(10)17-12/h1-4H,5-9H2.
What are the key properties of 3-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-one?
3-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-one has a molecular weight of 250.32 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-one is sourced from PubChem (CID 567689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).