2-propan-2-yl-5-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3,4-thiadiazole

C11H16F3N3S — CID 129397609

IUPAC2-propan-2-yl-5-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3,4-thiadiazole
SMILESCC(C)c1nnc(N2CCC[C@H](C(F)(F)F)C2)s1
InChIInChI=1S/C11H16F3N3S/c1-7(2)9-15-16-10(18-9)17-5-3-4-8(6-17)11(12,13)14/h7-8H,3-6H2,1-2H3/t8-/m0/s1
InChIKeySJYFWGVPSLFQKJ-QMMMGPOBSA-N
MW279.33 g/mol
LogP3.44
Rot. Bonds2

About 2-propan-2-yl-5-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3,4-thiadiazole

2-propan-2-yl-5-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3,4-thiadiazole (PubChem CID 129397609) has the molecular formula C11H16F3N3S and a molecular weight of 279.33 g/mol. Its IUPAC name is 2-propan-2-yl-5-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-propan-2-yl-5-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3,4-thiadiazole
PubChem CID129397609
Molecular FormulaC11H16F3N3S
Molecular Weight279.33 g/mol
Exact Mass279.10
IUPAC Name2-propan-2-yl-5-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3,4-thiadiazole
SMILESCC(C)c1nnc(N2CCC[C@H](C(F)(F)F)C2)s1
InChIInChI=1S/C11H16F3N3S/c1-7(2)9-15-16-10(18-9)17-5-3-4-8(6-17)11(12,13)14/h7-8H,3-6H2,1-2H3/t8-/m0/s1
InChIKeySJYFWGVPSLFQKJ-QMMMGPOBSA-N
XLogP3.44
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-propan-2-yl-5-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3,4-thiadiazole (CID 129397609) is 2-propan-2-yl-5-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-propan-2-yl-5-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-propan-2-yl-5-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3,4-thiadiazole is CC(C)c1nnc(N2CCC[C@H](C(F)(F)F)C2)s1.
What is the InChIKey of 2-propan-2-yl-5-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3,4-thiadiazole?
The InChIKey is SJYFWGVPSLFQKJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16F3N3S/c1-7(2)9-15-16-10(18-9)17-5-3-4-8(6-17)11(12,13)14/h7-8H,3-6H2,1-2H3/t8-/m0/s1.
What are the key properties of 2-propan-2-yl-5-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3,4-thiadiazole?
2-propan-2-yl-5-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3,4-thiadiazole has a molecular weight of 279.33 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 129397609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).