4-(2-methyl-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol

C11H13F3N6OS — CID 138008386

IUPAC4-(2-methyl-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol
SMILESCn1ncnc1C1(O)CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C11H13F3N6OS/c1-19-8(15-6-16-19)10(21)2-4-20(5-3-10)9-17-7(18-22-9)11(12,13)14/h6,21H,2-5H2,1H3
InChIKeyIACKPBFKSRCNNQ-UHFFFAOYSA-N
MW334.33 g/mol
LogP1.17
Rot. Bonds2

About 4-(2-methyl-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol

4-(2-methyl-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol (PubChem CID 138008386) has the molecular formula C11H13F3N6OS and a molecular weight of 334.33 g/mol. Its IUPAC name is 4-(2-methyl-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-(2-methyl-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol
PubChem CID138008386
Molecular FormulaC11H13F3N6OS
Molecular Weight334.33 g/mol
Exact Mass334.08
IUPAC Name4-(2-methyl-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol
SMILESCn1ncnc1C1(O)CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C11H13F3N6OS/c1-19-8(15-6-16-19)10(21)2-4-20(5-3-10)9-17-7(18-22-9)11(12,13)14/h6,21H,2-5H2,1H3
InChIKeyIACKPBFKSRCNNQ-UHFFFAOYSA-N
XLogP1.17
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol?
The IUPAC name of 4-(2-methyl-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol (CID 138008386) is 4-(2-methyl-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol.
What is the SMILES notation for 4-(2-methyl-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol?
The canonical SMILES for 4-(2-methyl-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol is Cn1ncnc1C1(O)CCN(c2nc(C(F)(F)F)ns2)CC1.
What is the InChIKey of 4-(2-methyl-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol?
The InChIKey is IACKPBFKSRCNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6OS/c1-19-8(15-6-16-19)10(21)2-4-20(5-3-10)9-17-7(18-22-9)11(12,13)14/h6,21H,2-5H2,1H3.
What are the key properties of 4-(2-methyl-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol?
4-(2-methyl-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol has a molecular weight of 334.33 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,2,4-triazol-3-yl)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-ol is sourced from PubChem (CID 138008386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).