3-[2-fluoro-2-methyl-3-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine

C12H19FN2OS — CID 113462390

IUPAC3-[2-fluoro-2-methyl-3-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine
SMILESCc1csc(CC(C)(F)CC2COCCN2)n1
InChIInChI=1S/C12H19FN2OS/c1-9-8-17-11(15-9)6-12(2,13)5-10-7-16-4-3-14-10/h8,10,14H,3-7H2,1-2H3
InChIKeyGXIVGFDJJHCMFP-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.10
Rot. Bonds4

About 3-[2-fluoro-2-methyl-3-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine

3-[2-fluoro-2-methyl-3-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine (PubChem CID 113462390) has the molecular formula C12H19FN2OS and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-[2-fluoro-2-methyl-3-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine.

Molecular Properties

Compound Name3-[2-fluoro-2-methyl-3-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine
PubChem CID113462390
Molecular FormulaC12H19FN2OS
Molecular Weight258.36 g/mol
Exact Mass258.12
IUPAC Name3-[2-fluoro-2-methyl-3-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine
SMILESCc1csc(CC(C)(F)CC2COCCN2)n1
InChIInChI=1S/C12H19FN2OS/c1-9-8-17-11(15-9)6-12(2,13)5-10-7-16-4-3-14-10/h8,10,14H,3-7H2,1-2H3
InChIKeyGXIVGFDJJHCMFP-UHFFFAOYSA-N
XLogP2.10
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-2-methyl-3-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine?
The IUPAC name of 3-[2-fluoro-2-methyl-3-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine (CID 113462390) is 3-[2-fluoro-2-methyl-3-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine.
What is the SMILES notation for 3-[2-fluoro-2-methyl-3-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine?
The canonical SMILES for 3-[2-fluoro-2-methyl-3-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine is Cc1csc(CC(C)(F)CC2COCCN2)n1.
What is the InChIKey of 3-[2-fluoro-2-methyl-3-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine?
The InChIKey is GXIVGFDJJHCMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2OS/c1-9-8-17-11(15-9)6-12(2,13)5-10-7-16-4-3-14-10/h8,10,14H,3-7H2,1-2H3.
What are the key properties of 3-[2-fluoro-2-methyl-3-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine?
3-[2-fluoro-2-methyl-3-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine has a molecular weight of 258.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-2-methyl-3-(4-methyl-1,3-thiazol-2-yl)propyl]morpholine is sourced from PubChem (CID 113462390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).