4-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]thiadiazole

C12H14F3N5S — CID 75499503

IUPAC4-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]thiadiazole
SMILESFC(F)(F)c1ccn(C2CCN(Cc3csnn3)CC2)n1
InChIInChI=1S/C12H14F3N5S/c13-12(14,15)11-3-6-20(17-11)10-1-4-19(5-2-10)7-9-8-21-18-16-9/h3,6,8,10H,1-2,4-5,7H2
InChIKeyLYSUICAVNFZYGH-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.59
Rot. Bonds3

About 4-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]thiadiazole

4-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]thiadiazole (PubChem CID 75499503) has the molecular formula C12H14F3N5S and a molecular weight of 317.34 g/mol. Its IUPAC name is 4-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]thiadiazole.

Molecular Properties

Compound Name4-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]thiadiazole
PubChem CID75499503
Molecular FormulaC12H14F3N5S
Molecular Weight317.34 g/mol
Exact Mass317.09
IUPAC Name4-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]thiadiazole
SMILESFC(F)(F)c1ccn(C2CCN(Cc3csnn3)CC2)n1
InChIInChI=1S/C12H14F3N5S/c13-12(14,15)11-3-6-20(17-11)10-1-4-19(5-2-10)7-9-8-21-18-16-9/h3,6,8,10H,1-2,4-5,7H2
InChIKeyLYSUICAVNFZYGH-UHFFFAOYSA-N
XLogP2.59
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]thiadiazole?
The IUPAC name of 4-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]thiadiazole (CID 75499503) is 4-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]thiadiazole.
What is the SMILES notation for 4-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]thiadiazole?
The canonical SMILES for 4-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]thiadiazole is FC(F)(F)c1ccn(C2CCN(Cc3csnn3)CC2)n1.
What is the InChIKey of 4-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]thiadiazole?
The InChIKey is LYSUICAVNFZYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5S/c13-12(14,15)11-3-6-20(17-11)10-1-4-19(5-2-10)7-9-8-21-18-16-9/h3,6,8,10H,1-2,4-5,7H2.
What are the key properties of 4-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]thiadiazole?
4-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]thiadiazole has a molecular weight of 317.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]thiadiazole is sourced from PubChem (CID 75499503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).