3-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]morpholine

C13H14FN3OS — CID 102748349

IUPAC3-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]morpholine
SMILESCc1sc(C2COCCN2)nc1-c1ccc(F)cn1
InChIInChI=1S/C13H14FN3OS/c1-8-12(10-3-2-9(14)6-16-10)17-13(19-8)11-7-18-5-4-15-11/h2-3,6,11,15H,4-5,7H2,1H3
InChIKeyGERPGOAKRGEBEN-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.31
Rot. Bonds2

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

3-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]morpholine (PubChem CID 102748349) has the molecular formula C13H14FN3OS and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name3-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]morpholine
PubChem CID102748349
Molecular FormulaC13H14FN3OS
Molecular Weight279.34 g/mol
Exact Mass279.08
IUPAC Name3-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]morpholine
SMILESCc1sc(C2COCCN2)nc1-c1ccc(F)cn1
InChIInChI=1S/C13H14FN3OS/c1-8-12(10-3-2-9(14)6-16-10)17-13(19-8)11-7-18-5-4-15-11/h2-3,6,11,15H,4-5,7H2,1H3
InChIKeyGERPGOAKRGEBEN-UHFFFAOYSA-N
XLogP2.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 3-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]morpholine (CID 102748349) is 3-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 3-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 3-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]morpholine is Cc1sc(C2COCCN2)nc1-c1ccc(F)cn1.
What is the InChIKey of 3-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]morpholine?
The InChIKey is GERPGOAKRGEBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS/c1-8-12(10-3-2-9(14)6-16-10)17-13(19-8)11-7-18-5-4-15-11/h2-3,6,11,15H,4-5,7H2,1H3.
What are the key properties of 3-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]morpholine?
3-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]morpholine has a molecular weight of 279.34 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 102748349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).