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

C12H18F3N3S — CID 133484695

IUPAC3-(2-methylpropyl)-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESCC(C)Cc1nsc(N2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C12H18F3N3S/c1-8(2)7-10-16-11(19-17-10)18-5-3-9(4-6-18)12(13,14)15/h8-9H,3-7H2,1-2H3
InChIKeyXAKWJCCIVDFIJI-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.52
Rot. Bonds3

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

3-(2-methylpropyl)-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole (PubChem CID 133484695) has the molecular formula C12H18F3N3S and a molecular weight of 293.36 g/mol. Its IUPAC name is 3-(2-methylpropyl)-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(2-methylpropyl)-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
PubChem CID133484695
Molecular FormulaC12H18F3N3S
Molecular Weight293.36 g/mol
Exact Mass293.12
IUPAC Name3-(2-methylpropyl)-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
SMILESCC(C)Cc1nsc(N2CCC(C(F)(F)F)CC2)n1
InChIInChI=1S/C12H18F3N3S/c1-8(2)7-10-16-11(19-17-10)18-5-3-9(4-6-18)12(13,14)15/h8-9H,3-7H2,1-2H3
InChIKeyXAKWJCCIVDFIJI-UHFFFAOYSA-N
XLogP3.52
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-5-(1-methylpiperidin-3-yl)-1,2,4-thiadiazole
CID 58487588
3-Methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 119099100
5-[(2,2-Difluoro-6-azaspiro[2.5]octan-6-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazole
CID 137957308
3-ethyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 164642026
3-Methyl-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 58792112
3-[(1S,3R)-2,2-difluoro-3-propan-2-ylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
CID 130466721
3-[(1S,3R)-2,2-difluoro-3-iodocyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
CID 130467094
3-[(1S,3R)-2,2-difluoro-3-methylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
CID 130467102
3-[(1S,3R)-3-ethyl-2,2-difluorocyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
CID 130472470
3-[(1S)-2,2-difluoro-3-methylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
CID 132216085
3-[(1S)-2,2-difluoro-3-propan-2-ylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
CID 132216086
3-(Piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 169691597

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-(2-methylpropyl)-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole (CID 133484695) is 3-(2-methylpropyl)-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-(2-methylpropyl)-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-(2-methylpropyl)-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole is CC(C)Cc1nsc(N2CCC(C(F)(F)F)CC2)n1.
What is the InChIKey of 3-(2-methylpropyl)-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is XAKWJCCIVDFIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3S/c1-8(2)7-10-16-11(19-17-10)18-5-3-9(4-6-18)12(13,14)15/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole?
3-(2-methylpropyl)-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 293.36 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 133484695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).