N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine

C10H15F3N4S — CID 133486731

IUPACN-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)CN1CCC(CNc2ncns2)CC1
InChIInChI=1S/C10H15F3N4S/c11-10(12,13)6-17-3-1-8(2-4-17)5-14-9-15-7-16-18-9/h7-8H,1-6H2,(H,14,15,16)
InChIKeySSSXZPWGQCMNRN-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.22
Rot. Bonds4

About N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine

N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 133486731) has the molecular formula C10H15F3N4S and a molecular weight of 280.32 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine
PubChem CID133486731
Molecular FormulaC10H15F3N4S
Molecular Weight280.32 g/mol
Exact Mass280.10
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)CN1CCC(CNc2ncns2)CC1
InChIInChI=1S/C10H15F3N4S/c11-10(12,13)6-17-3-1-8(2-4-17)5-14-9-15-7-16-18-9/h7-8H,1-6H2,(H,14,15,16)
InChIKeySSSXZPWGQCMNRN-UHFFFAOYSA-N
XLogP2.22
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(Trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 71221271
3-[4-(Trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 141352814
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271107
5-[3-(Trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazol-3-amine
CID 66278807
5-[4-(Trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazol-3-amine
CID 66278808
[1-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanamine
CID 107304496
N-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304869
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305198
N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305311
N-methyl-N-(piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305422
N-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 113943942
N-methyl-1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]methanamine
CID 113944022

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine (CID 133486731) is N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine is FC(F)(F)CN1CCC(CNc2ncns2)CC1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is SSSXZPWGQCMNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4S/c11-10(12,13)6-17-3-1-8(2-4-17)5-14-9-15-7-16-18-9/h7-8H,1-6H2,(H,14,15,16).
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine?
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 280.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133486731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).