1-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethanone

C9H12N2O2S — CID 141065535

IUPAC1-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)N1CCOCC1
InChIInChI=1S/C9H12N2O2S/c12-9(5-8-6-10-7-14-8)11-1-3-13-4-2-11/h6-7H,1-5H2
InChIKeyCSDNSCXXCAKAKM-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.54
Rot. Bonds2

About 1-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethanone

1-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 141065535) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethanone
PubChem CID141065535
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name1-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethanone
SMILESO=C(Cc1cncs1)N1CCOCC1
InChIInChI=1S/C9H12N2O2S/c12-9(5-8-6-10-7-14-8)11-1-3-13-4-2-11/h6-7H,1-5H2
InChIKeyCSDNSCXXCAKAKM-UHFFFAOYSA-N
XLogP0.54
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethanone (CID 141065535) is 1-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethanone is O=C(Cc1cncs1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is CSDNSCXXCAKAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c12-9(5-8-6-10-7-14-8)11-1-3-13-4-2-11/h6-7H,1-5H2.
What are the key properties of 1-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethanone?
1-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 212.27 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 141065535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).