N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C13H21F3N4OS — CID 133492375

IUPACN-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)OCCN1CCC(Nc2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C13H21F3N4OS/c1-9(2)21-8-7-20-5-3-10(4-6-20)17-12-19-18-11(22-12)13(14,15)16/h9-10H,3-8H2,1-2H3,(H,17,19)
InChIKeyVKAORFWDHZFSHG-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.86
Rot. Bonds6

About N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 133492375) has the molecular formula C13H21F3N4OS and a molecular weight of 338.40 g/mol. Its IUPAC name is N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID133492375
Molecular FormulaC13H21F3N4OS
Molecular Weight338.40 g/mol
Exact Mass338.14
IUPAC NameN-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)OCCN1CCC(Nc2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C13H21F3N4OS/c1-9(2)21-8-7-20-5-3-10(4-6-20)17-12-19-18-11(22-12)13(14,15)16/h9-10H,3-8H2,1-2H3,(H,17,19)
InChIKeyVKAORFWDHZFSHG-UHFFFAOYSA-N
XLogP2.86
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 133492375) is N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CC(C)OCCN1CCC(Nc2nnc(C(F)(F)F)s2)CC1.
What is the InChIKey of N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is VKAORFWDHZFSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4OS/c1-9(2)21-8-7-20-5-3-10(4-6-20)17-12-19-18-11(22-12)13(14,15)16/h9-10H,3-8H2,1-2H3,(H,17,19).
What are the key properties of N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 338.40 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133492375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).