5-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine

C10H15F3N4S — CID 103688269

IUPAC5-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC2CCN(CC(F)(F)F)CC2)s1
InChIInChI=1S/C10H15F3N4S/c1-7-15-16-9(18-7)14-8-2-4-17(5-3-8)6-10(11,12)13/h8H,2-6H2,1H3,(H,14,16)
InChIKeyMWEVJTCSHOILIB-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.29
Rot. Bonds3

About 5-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine

5-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 103688269) has the molecular formula C10H15F3N4S and a molecular weight of 280.32 g/mol. Its IUPAC name is 5-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine
PubChem CID103688269
Molecular FormulaC10H15F3N4S
Molecular Weight280.32 g/mol
Exact Mass280.10
IUPAC Name5-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC2CCN(CC(F)(F)F)CC2)s1
InChIInChI=1S/C10H15F3N4S/c1-7-15-16-9(18-7)14-8-2-4-17(5-3-8)6-10(11,12)13/h8H,2-6H2,1H3,(H,14,16)
InChIKeyMWEVJTCSHOILIB-UHFFFAOYSA-N
XLogP2.29
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylate
CID 86799537
5-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 131933327
N-hexyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 21544995
N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,5-diamine
CID 59230097
Methyl-piperidin-4-yl-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-amine
CID 59323568
Piperidin-4-yl-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-amine
CID 59323569
N-(piperidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114449859
N-[(2S,3R)-1-tert-butyl-2-methylpiperidin-3-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 117630311
N-[[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 166810497
N-[(3R,4S)-3-fluoropiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 178170928
N-Methyl-1-{1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl}methanamine
CID 45594300
5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80606785

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine (CID 103688269) is 5-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine is Cc1nnc(NC2CCN(CC(F)(F)F)CC2)s1.
What is the InChIKey of 5-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is MWEVJTCSHOILIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4S/c1-7-15-16-9(18-7)14-8-2-4-17(5-3-8)6-10(11,12)13/h8H,2-6H2,1H3,(H,14,16).
What are the key properties of 5-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine?
5-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 280.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 103688269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).