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

C12H16N2O2S — CID 126497999

IUPAC1-(2-cyclopropyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
SMILESCC(=O)c1nc(C2CC2)sc1N1CCOCC1
InChIInChI=1S/C12H16N2O2S/c1-8(15)10-12(14-4-6-16-7-5-14)17-11(13-10)9-2-3-9/h9H,2-7H2,1H3
InChIKeyWVIKFMVJAUVHFK-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.06
Rot. Bonds3

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

1-(2-cyclopropyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 126497999) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 1-(2-cyclopropyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-cyclopropyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
PubChem CID126497999
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name1-(2-cyclopropyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
SMILESCC(=O)c1nc(C2CC2)sc1N1CCOCC1
InChIInChI=1S/C12H16N2O2S/c1-8(15)10-12(14-4-6-16-7-5-14)17-11(13-10)9-2-3-9/h9H,2-7H2,1H3
InChIKeyWVIKFMVJAUVHFK-UHFFFAOYSA-N
XLogP2.06
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(2-cyclopropyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone (CID 126497999) is 1-(2-cyclopropyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(2-cyclopropyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(2-cyclopropyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone is CC(=O)c1nc(C2CC2)sc1N1CCOCC1.
What is the InChIKey of 1-(2-cyclopropyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone?
The InChIKey is WVIKFMVJAUVHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-8(15)10-12(14-4-6-16-7-5-14)17-11(13-10)9-2-3-9/h9H,2-7H2,1H3.
What are the key properties of 1-(2-cyclopropyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone?
1-(2-cyclopropyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 252.34 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 126497999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).