3-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-2-methylpropyl]morpholine

C13H21FN2OS — CID 113462364

IUPAC3-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-2-methylpropyl]morpholine
SMILESCc1nc(CC(C)(F)CC2COCCN2)sc1C
InChIInChI=1S/C13H21FN2OS/c1-9-10(2)18-12(16-9)7-13(3,14)6-11-8-17-5-4-15-11/h11,15H,4-8H2,1-3H3
InChIKeyQDOWJJNQTNHKHK-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.41
Rot. Bonds4

About 3-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-2-methylpropyl]morpholine

3-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-2-methylpropyl]morpholine (PubChem CID 113462364) has the molecular formula C13H21FN2OS and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-2-methylpropyl]morpholine.

Molecular Properties

Compound Name3-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-2-methylpropyl]morpholine
PubChem CID113462364
Molecular FormulaC13H21FN2OS
Molecular Weight272.39 g/mol
Exact Mass272.14
IUPAC Name3-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-2-methylpropyl]morpholine
SMILESCc1nc(CC(C)(F)CC2COCCN2)sc1C
InChIInChI=1S/C13H21FN2OS/c1-9-10(2)18-12(16-9)7-13(3,14)6-11-8-17-5-4-15-11/h11,15H,4-8H2,1-3H3
InChIKeyQDOWJJNQTNHKHK-UHFFFAOYSA-N
XLogP2.41
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-2-methylpropyl]morpholine?
The IUPAC name of 3-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-2-methylpropyl]morpholine (CID 113462364) is 3-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-2-methylpropyl]morpholine.
What is the SMILES notation for 3-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-2-methylpropyl]morpholine?
The canonical SMILES for 3-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-2-methylpropyl]morpholine is Cc1nc(CC(C)(F)CC2COCCN2)sc1C.
What is the InChIKey of 3-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-2-methylpropyl]morpholine?
The InChIKey is QDOWJJNQTNHKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2OS/c1-9-10(2)18-12(16-9)7-13(3,14)6-11-8-17-5-4-15-11/h11,15H,4-8H2,1-3H3.
What are the key properties of 3-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-2-methylpropyl]morpholine?
3-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-2-methylpropyl]morpholine has a molecular weight of 272.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-2-methylpropyl]morpholine is sourced from PubChem (CID 113462364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).