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

C9H13F3N4S — CID 59323568

IUPACN-methyl-N-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCN(c1nnc(C(F)(F)F)s1)C1CCNCC1
InChIInChI=1S/C9H13F3N4S/c1-16(6-2-4-13-5-3-6)8-15-14-7(17-8)9(10,11)12/h6,13H,2-5H2,1H3
InChIKeyXNAXNESEDVMZFT-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.75
Rot. Bonds2

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

N-methyl-N-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 59323568) has the molecular formula C9H13F3N4S and a molecular weight of 266.29 g/mol. Its IUPAC name is N-methyl-N-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID59323568
Molecular FormulaC9H13F3N4S
Molecular Weight266.29 g/mol
Exact Mass266.08
IUPAC NameN-methyl-N-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCN(c1nnc(C(F)(F)F)s1)C1CCNCC1
InChIInChI=1S/C9H13F3N4S/c1-16(6-2-4-13-5-3-6)8-15-14-7(17-8)9(10,11)12/h6,13H,2-5H2,1H3
InChIKeyXNAXNESEDVMZFT-UHFFFAOYSA-N
XLogP1.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-N-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 59323568) is N-methyl-N-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-N-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-N-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CN(c1nnc(C(F)(F)F)s1)C1CCNCC1.
What is the InChIKey of N-methyl-N-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is XNAXNESEDVMZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4S/c1-16(6-2-4-13-5-3-6)8-15-14-7(17-8)9(10,11)12/h6,13H,2-5H2,1H3.
What are the key properties of N-methyl-N-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-methyl-N-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 266.29 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 59323568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).