(2,2-difluoromorpholin-4-yl)-(5-methyl-1,2-thiazol-3-yl)methanone

C9H10F2N2O2S — CID 126802968

IUPAC(2,2-difluoromorpholin-4-yl)-(5-methyl-1,2-thiazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCOC(F)(F)C2)ns1
InChIInChI=1S/C9H10F2N2O2S/c1-6-4-7(12-16-6)8(14)13-2-3-15-9(10,11)5-13/h4H,2-3,5H2,1H3
InChIKeyIHHVBHWSENBZNA-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.52
Rot. Bonds1

About (2,2-difluoromorpholin-4-yl)-(5-methyl-1,2-thiazol-3-yl)methanone

(2,2-difluoromorpholin-4-yl)-(5-methyl-1,2-thiazol-3-yl)methanone (PubChem CID 126802968) has the molecular formula C9H10F2N2O2S and a molecular weight of 248.25 g/mol. Its IUPAC name is (2,2-difluoromorpholin-4-yl)-(5-methyl-1,2-thiazol-3-yl)methanone.

Molecular Properties

Compound Name(2,2-difluoromorpholin-4-yl)-(5-methyl-1,2-thiazol-3-yl)methanone
PubChem CID126802968
Molecular FormulaC9H10F2N2O2S
Molecular Weight248.25 g/mol
Exact Mass248.04
IUPAC Name(2,2-difluoromorpholin-4-yl)-(5-methyl-1,2-thiazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCOC(F)(F)C2)ns1
InChIInChI=1S/C9H10F2N2O2S/c1-6-4-7(12-16-6)8(14)13-2-3-15-9(10,11)5-13/h4H,2-3,5H2,1H3
InChIKeyIHHVBHWSENBZNA-UHFFFAOYSA-N
XLogP1.52
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,2-difluoromorpholin-4-yl)-(5-methyl-1,2-thiazol-3-yl)methanone?
The IUPAC name of (2,2-difluoromorpholin-4-yl)-(5-methyl-1,2-thiazol-3-yl)methanone (CID 126802968) is (2,2-difluoromorpholin-4-yl)-(5-methyl-1,2-thiazol-3-yl)methanone.
What is the SMILES notation for (2,2-difluoromorpholin-4-yl)-(5-methyl-1,2-thiazol-3-yl)methanone?
The canonical SMILES for (2,2-difluoromorpholin-4-yl)-(5-methyl-1,2-thiazol-3-yl)methanone is Cc1cc(C(=O)N2CCOC(F)(F)C2)ns1.
What is the InChIKey of (2,2-difluoromorpholin-4-yl)-(5-methyl-1,2-thiazol-3-yl)methanone?
The InChIKey is IHHVBHWSENBZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2S/c1-6-4-7(12-16-6)8(14)13-2-3-15-9(10,11)5-13/h4H,2-3,5H2,1H3.
What are the key properties of (2,2-difluoromorpholin-4-yl)-(5-methyl-1,2-thiazol-3-yl)methanone?
(2,2-difluoromorpholin-4-yl)-(5-methyl-1,2-thiazol-3-yl)methanone has a molecular weight of 248.25 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoromorpholin-4-yl)-(5-methyl-1,2-thiazol-3-yl)methanone is sourced from PubChem (CID 126802968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).