N-(2-methyl-3-piperidin-1-ylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C12H19F3N4S — CID 114448320

IUPACN-(2-methyl-3-piperidin-1-ylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(CNc1nnc(C(F)(F)F)s1)CN1CCCCC1
InChIInChI=1S/C12H19F3N4S/c1-9(8-19-5-3-2-4-6-19)7-16-11-18-17-10(20-11)12(13,14)15/h9H,2-8H2,1H3,(H,16,18)
InChIKeySRKJSQICEPKXJZ-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.09
Rot. Bonds5

About N-(2-methyl-3-piperidin-1-ylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-(2-methyl-3-piperidin-1-ylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114448320) has the molecular formula C12H19F3N4S and a molecular weight of 308.37 g/mol. Its IUPAC name is N-(2-methyl-3-piperidin-1-ylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-methyl-3-piperidin-1-ylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114448320
Molecular FormulaC12H19F3N4S
Molecular Weight308.37 g/mol
Exact Mass308.13
IUPAC NameN-(2-methyl-3-piperidin-1-ylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(CNc1nnc(C(F)(F)F)s1)CN1CCCCC1
InChIInChI=1S/C12H19F3N4S/c1-9(8-19-5-3-2-4-6-19)7-16-11-18-17-10(20-11)12(13,14)15/h9H,2-8H2,1H3,(H,16,18)
InChIKeySRKJSQICEPKXJZ-UHFFFAOYSA-N
XLogP3.09
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-piperidin-1-ylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-methyl-3-piperidin-1-ylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114448320) is N-(2-methyl-3-piperidin-1-ylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-methyl-3-piperidin-1-ylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-methyl-3-piperidin-1-ylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CC(CNc1nnc(C(F)(F)F)s1)CN1CCCCC1.
What is the InChIKey of N-(2-methyl-3-piperidin-1-ylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is SRKJSQICEPKXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4S/c1-9(8-19-5-3-2-4-6-19)7-16-11-18-17-10(20-11)12(13,14)15/h9H,2-8H2,1H3,(H,16,18).
What are the key properties of N-(2-methyl-3-piperidin-1-ylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-(2-methyl-3-piperidin-1-ylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 308.37 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-piperidin-1-ylpropyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114448320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).