4-[(5S)-5-[[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methyl]-4,5-dihydro-1,3-thiazol-2-yl]morpholine

C15H24F4N4OS — CID 97245406

IUPAC4-[(5S)-5-[[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methyl]-4,5-dihydro-1,3-thiazol-2-yl]morpholine
SMILESFC(F)C(F)(F)CN1CCN(C[C@H]2CN=C(N3CCOCC3)S2)CC1
InChIInChI=1S/C15H24F4N4OS/c16-13(17)15(18,19)11-22-3-1-21(2-4-22)10-12-9-20-14(25-12)23-5-7-24-8-6-23/h12-13H,1-11H2/t12-/m1/s1
InChIKeyRYKSSKYZVAGVAQ-GFCCVEGCSA-N
MW384.44 g/mol
LogP1.31
Rot. Bonds5

About 4-[(5S)-5-[[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methyl]-4,5-dihydro-1,3-thiazol-2-yl]morpholine

4-[(5S)-5-[[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methyl]-4,5-dihydro-1,3-thiazol-2-yl]morpholine (PubChem CID 97245406) has the molecular formula C15H24F4N4OS and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[(5S)-5-[[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methyl]-4,5-dihydro-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[(5S)-5-[[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methyl]-4,5-dihydro-1,3-thiazol-2-yl]morpholine
PubChem CID97245406
Molecular FormulaC15H24F4N4OS
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name4-[(5S)-5-[[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methyl]-4,5-dihydro-1,3-thiazol-2-yl]morpholine
SMILESFC(F)C(F)(F)CN1CCN(C[C@H]2CN=C(N3CCOCC3)S2)CC1
InChIInChI=1S/C15H24F4N4OS/c16-13(17)15(18,19)11-22-3-1-21(2-4-22)10-12-9-20-14(25-12)23-5-7-24-8-6-23/h12-13H,1-11H2/t12-/m1/s1
InChIKeyRYKSSKYZVAGVAQ-GFCCVEGCSA-N
XLogP1.31
TPSA31.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole
CID 75377122
4-[5-[[4-(2,2,3,3-Tetrafluoropropyl)piperazin-1-yl]methyl]-4,5-dihydro-1,3-thiazol-2-yl]morpholine
CID 75390771
(5R)-5-methyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole
CID 96558604
(5S)-5-methyl-2-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole
CID 96558605
4-[(5R)-5-[[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methyl]-4,5-dihydro-1,3-thiazol-2-yl]morpholine
CID 97245405
(5R)-5-methyl-2-[4-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole
CID 99828848
(5S)-5-methyl-2-[4-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole
CID 99828849
5-Methyl-2-[4-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]piperazin-1-yl]-4,5-dihydro-1,3-thiazole
CID 121516983

Frequently Asked Questions

What is the IUPAC name of 4-[(5S)-5-[[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methyl]-4,5-dihydro-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[(5S)-5-[[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methyl]-4,5-dihydro-1,3-thiazol-2-yl]morpholine (CID 97245406) is 4-[(5S)-5-[[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methyl]-4,5-dihydro-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[(5S)-5-[[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methyl]-4,5-dihydro-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[(5S)-5-[[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methyl]-4,5-dihydro-1,3-thiazol-2-yl]morpholine is FC(F)C(F)(F)CN1CCN(C[C@H]2CN=C(N3CCOCC3)S2)CC1.
What is the InChIKey of 4-[(5S)-5-[[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methyl]-4,5-dihydro-1,3-thiazol-2-yl]morpholine?
The InChIKey is RYKSSKYZVAGVAQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24F4N4OS/c16-13(17)15(18,19)11-22-3-1-21(2-4-22)10-12-9-20-14(25-12)23-5-7-24-8-6-23/h12-13H,1-11H2/t12-/m1/s1.
What are the key properties of 4-[(5S)-5-[[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methyl]-4,5-dihydro-1,3-thiazol-2-yl]morpholine?
4-[(5S)-5-[[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methyl]-4,5-dihydro-1,3-thiazol-2-yl]morpholine has a molecular weight of 384.44 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5S)-5-[[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methyl]-4,5-dihydro-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 97245406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).