4-[4-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]thiomorpholine

C18H16FN3S2 — CID 144828116

IUPAC4-[4-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]thiomorpholine
SMILESFc1cncc(-c2ncc(-c3ccc(N4CCSCC4)cc3)s2)c1
InChIInChI=1S/C18H16FN3S2/c19-15-9-14(10-20-11-15)18-21-12-17(24-18)13-1-3-16(4-2-13)22-5-7-23-8-6-22/h1-4,9-12H,5-8H2
InChIKeyXQXXAELEVLQHLI-UHFFFAOYSA-N
MW357.48 g/mol
LogP4.56
Rot. Bonds3

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

4-[4-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]thiomorpholine (PubChem CID 144828116) has the molecular formula C18H16FN3S2 and a molecular weight of 357.48 g/mol. Its IUPAC name is 4-[4-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]thiomorpholine.

Molecular Properties

Compound Name4-[4-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]thiomorpholine
PubChem CID144828116
Molecular FormulaC18H16FN3S2
Molecular Weight357.48 g/mol
Exact Mass357.08
IUPAC Name4-[4-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]thiomorpholine
SMILESFc1cncc(-c2ncc(-c3ccc(N4CCSCC4)cc3)s2)c1
InChIInChI=1S/C18H16FN3S2/c19-15-9-14(10-20-11-15)18-21-12-17(24-18)13-1-3-16(4-2-13)22-5-7-23-8-6-22/h1-4,9-12H,5-8H2
InChIKeyXQXXAELEVLQHLI-UHFFFAOYSA-N
XLogP4.56
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]thiomorpholine?
The IUPAC name of 4-[4-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]thiomorpholine (CID 144828116) is 4-[4-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]thiomorpholine.
What is the SMILES notation for 4-[4-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]thiomorpholine?
The canonical SMILES for 4-[4-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]thiomorpholine is Fc1cncc(-c2ncc(-c3ccc(N4CCSCC4)cc3)s2)c1.
What is the InChIKey of 4-[4-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]thiomorpholine?
The InChIKey is XQXXAELEVLQHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3S2/c19-15-9-14(10-20-11-15)18-21-12-17(24-18)13-1-3-16(4-2-13)22-5-7-23-8-6-22/h1-4,9-12H,5-8H2.
What are the key properties of 4-[4-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]thiomorpholine?
4-[4-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]thiomorpholine has a molecular weight of 357.48 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(5-fluoro-3-pyridinyl)-1,3-thiazol-5-yl]phenyl]thiomorpholine is sourced from PubChem (CID 144828116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).