4-[5-[(2R)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]morpholine

C9H12F3N3OS2 — CID 97068992

IUPAC4-[5-[(2R)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]morpholine
SMILESC[C@@H](Sc1nnc(N2CCOCC2)s1)C(F)(F)F
InChIInChI=1S/C9H12F3N3OS2/c1-6(9(10,11)12)17-8-14-13-7(18-8)15-2-4-16-5-3-15/h6H,2-5H2,1H3/t6-/m1/s1
InChIKeyWDKWCELHEMEKNI-ZCFIWIBFSA-N
MW299.34 g/mol
LogP2.42
Rot. Bonds3

About 4-[5-[(2R)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]morpholine

4-[5-[(2R)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]morpholine (PubChem CID 97068992) has the molecular formula C9H12F3N3OS2 and a molecular weight of 299.34 g/mol. Its IUPAC name is 4-[5-[(2R)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[(2R)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]morpholine
PubChem CID97068992
Molecular FormulaC9H12F3N3OS2
Molecular Weight299.34 g/mol
Exact Mass299.04
IUPAC Name4-[5-[(2R)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]morpholine
SMILESC[C@@H](Sc1nnc(N2CCOCC2)s1)C(F)(F)F
InChIInChI=1S/C9H12F3N3OS2/c1-6(9(10,11)12)17-8-14-13-7(18-8)15-2-4-16-5-3-15/h6H,2-5H2,1H3/t6-/m1/s1
InChIKeyWDKWCELHEMEKNI-ZCFIWIBFSA-N
XLogP2.42
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2R)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]morpholine?
The IUPAC name of 4-[5-[(2R)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]morpholine (CID 97068992) is 4-[5-[(2R)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]morpholine.
What is the SMILES notation for 4-[5-[(2R)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]morpholine?
The canonical SMILES for 4-[5-[(2R)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]morpholine is C[C@@H](Sc1nnc(N2CCOCC2)s1)C(F)(F)F.
What is the InChIKey of 4-[5-[(2R)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]morpholine?
The InChIKey is WDKWCELHEMEKNI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12F3N3OS2/c1-6(9(10,11)12)17-8-14-13-7(18-8)15-2-4-16-5-3-15/h6H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of 4-[5-[(2R)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]morpholine?
4-[5-[(2R)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]morpholine has a molecular weight of 299.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2R)-1,1,1-trifluoropropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]morpholine is sourced from PubChem (CID 97068992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).