3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole;hydrochloride

C9H13ClF3N3S — CID 119099099

IUPAC3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole;hydrochloride
SMILESCc1nsc(N2CCC(C(F)(F)F)CC2)n1.Cl
InChIInChI=1S/C9H12F3N3S.ClH/c1-6-13-8(16-14-6)15-4-2-7(3-5-15)9(10,11)12;/h7H,2-5H2,1H3;1H
InChIKeyQQIPRHVSGZDPAV-UHFFFAOYSA-N
MW287.74 g/mol
LogP3.05
Rot. Bonds1

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

3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole;hydrochloride (PubChem CID 119099099) has the molecular formula C9H13ClF3N3S and a molecular weight of 287.74 g/mol. Its IUPAC name is 3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole;hydrochloride.

Molecular Properties

Compound Name3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole;hydrochloride
PubChem CID119099099
Molecular FormulaC9H13ClF3N3S
Molecular Weight287.74 g/mol
Exact Mass287.05
IUPAC Name3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole;hydrochloride
SMILESCc1nsc(N2CCC(C(F)(F)F)CC2)n1.Cl
InChIInChI=1S/C9H12F3N3S.ClH/c1-6-13-8(16-14-6)15-4-2-7(3-5-15)9(10,11)12;/h7H,2-5H2,1H3;1H
InChIKeyQQIPRHVSGZDPAV-UHFFFAOYSA-N
XLogP3.05
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.74
LogP ≤ 53.05
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-[3-(2,2-Difluoroethyl)azetidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 126794128
5-[(2,2-Difluoro-6-azaspiro[2.5]octan-6-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazole
CID 137957308
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-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole;hydrochloride?
The IUPAC name of 3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole;hydrochloride (CID 119099099) is 3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole;hydrochloride.
What is the SMILES notation for 3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole;hydrochloride?
The canonical SMILES for 3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole;hydrochloride is Cc1nsc(N2CCC(C(F)(F)F)CC2)n1.Cl.
What is the InChIKey of 3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole;hydrochloride?
The InChIKey is QQIPRHVSGZDPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3S.ClH/c1-6-13-8(16-14-6)15-4-2-7(3-5-15)9(10,11)12;/h7H,2-5H2,1H3;1H.
What are the key properties of 3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole;hydrochloride?
3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole;hydrochloride has a molecular weight of 287.74 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole;hydrochloride is sourced from PubChem (CID 119099099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).