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

C11H17F3N4S — CID 107305221

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCN1CCC(C)(CNc2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C11H17F3N4S/c1-10(3-5-18(2)6-4-10)7-15-9-16-8(17-19-9)11(12,13)14/h3-7H2,1-2H3,(H,15,16,17)
InChIKeyRFWSCHRPRBUBHH-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.70
Rot. Bonds3

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

N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305221) has the molecular formula C11H17F3N4S and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305221
Molecular FormulaC11H17F3N4S
Molecular Weight294.35 g/mol
Exact Mass294.11
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCN1CCC(C)(CNc2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C11H17F3N4S/c1-10(3-5-18(2)6-4-10)7-15-9-16-8(17-19-9)11(12,13)14/h3-7H2,1-2H3,(H,15,16,17)
InChIKeyRFWSCHRPRBUBHH-UHFFFAOYSA-N
XLogP2.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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

2-[4-[[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)amino]methyl]piperidin-1-yl]acetonitrile
CID 86817139
3-Methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 119099100
3-ethyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 164642026
N-[(3,3-dimethylpiperidin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105566429
3-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)-1,2,4-thiadiazol-5-amine
CID 105700647
N-[(1-ethylcyclopropyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105701100
N-[(1-propylcyclopropyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105701360
N-[(1-methylcyclobutyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105757499
N-[(1-ethylcyclopentyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105896438
2,2-dimethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,4-diamine
CID 106142046
2,2-dimethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,5-diamine
CID 106142608
2-methyl-N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,5-diamine
CID 106155171

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305221) is N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CN1CCC(C)(CNc2nc(C(F)(F)F)ns2)CC1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is RFWSCHRPRBUBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4S/c1-10(3-5-18(2)6-4-10)7-15-9-16-8(17-19-9)11(12,13)14/h3-7H2,1-2H3,(H,15,16,17).
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 294.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).