N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C11H17F3N4S — CID 107305198

IUPACN-[2-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCN1CCC(CCNc2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C11H17F3N4S/c1-18-6-3-8(4-7-18)2-5-15-10-16-9(17-19-10)11(12,13)14/h8H,2-7H2,1H3,(H,15,16,17)
InChIKeyGYZOLRUFRUTJKF-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.70
Rot. Bonds4

About N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305198) has the molecular formula C11H17F3N4S and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305198
Molecular FormulaC11H17F3N4S
Molecular Weight294.35 g/mol
Exact Mass294.11
IUPAC NameN-[2-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCN1CCC(CCNc2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C11H17F3N4S/c1-18-6-3-8(4-7-18)2-5-15-10-16-9(17-19-10)11(12,13)14/h8H,2-7H2,1H3,(H,15,16,17)
InChIKeyGYZOLRUFRUTJKF-UHFFFAOYSA-N
XLogP2.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclohexylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304747
N-[2-(oxolan-3-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 114131218
N-cyclopropyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107305293
2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107304692
N-octyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305075
N-(2-methoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304642
4-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]-1,3-thiazol-2-amine
CID 114516015
N-(oxan-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304954
N',N'-dimethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304685
N-(2-ethoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304729
N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304751
N-(4-chloropentyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 106124620

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305198) is N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CN1CCC(CCNc2nc(C(F)(F)F)ns2)CC1.
What is the InChIKey of N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is GYZOLRUFRUTJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4S/c1-18-6-3-8(4-7-18)2-5-15-10-16-9(17-19-10)11(12,13)14/h8H,2-7H2,1H3,(H,15,16,17).
What are the key properties of N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 294.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).