4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]thiomorpholine

C13H13FN2S2 — CID 1490756

IUPAC4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]thiomorpholine
SMILESFc1ccc(-c2csc(N3CCSCC3)n2)cc1
InChIInChI=1S/C13H13FN2S2/c14-11-3-1-10(2-4-11)12-9-18-13(15-12)16-5-7-17-8-6-16/h1-4,9H,5-8H2
InChIKeyIPHXTOIAKFRZBQ-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.50
Rot. Bonds2

About 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]thiomorpholine

4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]thiomorpholine (PubChem CID 1490756) has the molecular formula C13H13FN2S2 and a molecular weight of 280.39 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]thiomorpholine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]thiomorpholine
PubChem CID1490756
Molecular FormulaC13H13FN2S2
Molecular Weight280.39 g/mol
Exact Mass280.05
IUPAC Name4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]thiomorpholine
SMILESFc1ccc(-c2csc(N3CCSCC3)n2)cc1
InChIInChI=1S/C13H13FN2S2/c14-11-3-1-10(2-4-11)12-9-18-13(15-12)16-5-7-17-8-6-16/h1-4,9H,5-8H2
InChIKeyIPHXTOIAKFRZBQ-UHFFFAOYSA-N
XLogP3.50
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]thiomorpholine?
The IUPAC name of 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]thiomorpholine (CID 1490756) is 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]thiomorpholine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]thiomorpholine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]thiomorpholine is Fc1ccc(-c2csc(N3CCSCC3)n2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]thiomorpholine?
The InChIKey is IPHXTOIAKFRZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2S2/c14-11-3-1-10(2-4-11)12-9-18-13(15-12)16-5-7-17-8-6-16/h1-4,9H,5-8H2.
What are the key properties of 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]thiomorpholine?
4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]thiomorpholine has a molecular weight of 280.39 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]thiomorpholine is sourced from PubChem (CID 1490756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).