4-[(3S)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]morpholine

C12H16F3N3OS — CID 164629319

IUPAC4-[(3S)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]morpholine
SMILESFC(F)(F)c1cnc(N2CC[C@H](N3CCOCC3)C2)s1
InChIInChI=1S/C12H16F3N3OS/c13-12(14,15)10-7-16-11(20-10)18-2-1-9(8-18)17-3-5-19-6-4-17/h7,9H,1-6,8H2/t9-/m0/s1
InChIKeyBTRBMYIAHNJWCT-VIFPVBQESA-N
MW307.34 g/mol
LogP2.07
Rot. Bonds2

About 4-[(3S)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]morpholine

4-[(3S)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]morpholine (PubChem CID 164629319) has the molecular formula C12H16F3N3OS and a molecular weight of 307.34 g/mol. Its IUPAC name is 4-[(3S)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[(3S)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]morpholine
PubChem CID164629319
Molecular FormulaC12H16F3N3OS
Molecular Weight307.34 g/mol
Exact Mass307.10
IUPAC Name4-[(3S)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]morpholine
SMILESFC(F)(F)c1cnc(N2CC[C@H](N3CCOCC3)C2)s1
InChIInChI=1S/C12H16F3N3OS/c13-12(14,15)10-7-16-11(20-10)18-2-1-9(8-18)17-3-5-19-6-4-17/h7,9H,1-6,8H2/t9-/m0/s1
InChIKeyBTRBMYIAHNJWCT-VIFPVBQESA-N
XLogP2.07
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[(3S)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]morpholine (CID 164629319) is 4-[(3S)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[(3S)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[(3S)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]morpholine is FC(F)(F)c1cnc(N2CC[C@H](N3CCOCC3)C2)s1.
What is the InChIKey of 4-[(3S)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]morpholine?
The InChIKey is BTRBMYIAHNJWCT-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16F3N3OS/c13-12(14,15)10-7-16-11(20-10)18-2-1-9(8-18)17-3-5-19-6-4-17/h7,9H,1-6,8H2/t9-/m0/s1.
What are the key properties of 4-[(3S)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]morpholine?
4-[(3S)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]morpholine has a molecular weight of 307.34 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]morpholine is sourced from PubChem (CID 164629319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).