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

C17H16F3N5S — CID 133450761

IUPAC3-phenyl-5-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,2,4-thiadiazole
SMILESFC(F)(F)c1ccn(C2CCCN(c3nc(-c4ccccc4)ns3)C2)n1
InChIInChI=1S/C17H16F3N5S/c18-17(19,20)14-8-10-25(22-14)13-7-4-9-24(11-13)16-21-15(23-26-16)12-5-2-1-3-6-12/h1-3,5-6,8,10,13H,4,7,9,11H2
InChIKeyIQWAKRXZUJWBPO-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.26
Rot. Bonds3

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

3-phenyl-5-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,2,4-thiadiazole (PubChem CID 133450761) has the molecular formula C17H16F3N5S and a molecular weight of 379.41 g/mol. Its IUPAC name is 3-phenyl-5-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-phenyl-5-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,2,4-thiadiazole
PubChem CID133450761
Molecular FormulaC17H16F3N5S
Molecular Weight379.41 g/mol
Exact Mass379.11
IUPAC Name3-phenyl-5-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,2,4-thiadiazole
SMILESFC(F)(F)c1ccn(C2CCCN(c3nc(-c4ccccc4)ns3)C2)n1
InChIInChI=1S/C17H16F3N5S/c18-17(19,20)14-8-10-25(22-14)13-7-4-9-24(11-13)16-21-15(23-26-16)12-5-2-1-3-6-12/h1-3,5-6,8,10,13H,4,7,9,11H2
InChIKeyIQWAKRXZUJWBPO-UHFFFAOYSA-N
XLogP4.26
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzyl-5-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,3,4-thiadiazole
CID 133452904
5-phenyl-7-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133450849
1-chloro-3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]isoquinoline
CID 133450902
4-chloro-6-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidin-2-amine
CID 133450762
2-methyl-4-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 133450748
3-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide
CID 133462505
2,1-benzothiazol-3-yl-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 166277855
2-[(3S)-1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-1,3-benzoxazole
CID 97221250
5-methyl-2-(trifluoromethyl)-7-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133450935
1-[1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
CID 123480114
4-[3-(trifluoromethyl)pyrazol-1-yl]azepane
CID 63903132
3-[[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]benzoic acid
CID 122032737

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-phenyl-5-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,2,4-thiadiazole (CID 133450761) is 3-phenyl-5-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-phenyl-5-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-phenyl-5-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,2,4-thiadiazole is FC(F)(F)c1ccn(C2CCCN(c3nc(-c4ccccc4)ns3)C2)n1.
What is the InChIKey of 3-phenyl-5-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,2,4-thiadiazole?
The InChIKey is IQWAKRXZUJWBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5S/c18-17(19,20)14-8-10-25(22-14)13-7-4-9-24(11-13)16-21-15(23-26-16)12-5-2-1-3-6-12/h1-3,5-6,8,10,13H,4,7,9,11H2.
What are the key properties of 3-phenyl-5-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,2,4-thiadiazole?
3-phenyl-5-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,2,4-thiadiazole has a molecular weight of 379.41 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 133450761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).