4-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylic acid

C10H13F3N4O2S — CID 141217850

IUPAC4-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylic acid
SMILESCN(c1nnc(C(F)(F)F)s1)C1CCN(C(=O)O)CC1
InChIInChI=1S/C10H13F3N4O2S/c1-16(6-2-4-17(5-3-6)9(18)19)8-15-14-7(20-8)10(11,12)13/h6H,2-5H2,1H3,(H,18,19)
InChIKeyBLJRYXPQUAQZLU-UHFFFAOYSA-N
MW310.30 g/mol
LogP2.14
Rot. Bonds2

About 4-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylic acid

4-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylic acid (PubChem CID 141217850) has the molecular formula C10H13F3N4O2S and a molecular weight of 310.30 g/mol. Its IUPAC name is 4-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylic acid
PubChem CID141217850
Molecular FormulaC10H13F3N4O2S
Molecular Weight310.30 g/mol
Exact Mass310.07
IUPAC Name4-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylic acid
SMILESCN(c1nnc(C(F)(F)F)s1)C1CCN(C(=O)O)CC1
InChIInChI=1S/C10H13F3N4O2S/c1-16(6-2-4-17(5-3-6)9(18)19)8-15-14-7(20-8)10(11,12)13/h6H,2-5H2,1H3,(H,18,19)
InChIKeyBLJRYXPQUAQZLU-UHFFFAOYSA-N
XLogP2.14
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylic acid (CID 141217850) is 4-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylic acid is CN(c1nnc(C(F)(F)F)s1)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylic acid?
The InChIKey is BLJRYXPQUAQZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O2S/c1-16(6-2-4-17(5-3-6)9(18)19)8-15-14-7(20-8)10(11,12)13/h6H,2-5H2,1H3,(H,18,19).
What are the key properties of 4-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylic acid?
4-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylic acid has a molecular weight of 310.30 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 141217850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).