5-(2-methylpropyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine

C13H21F3N4S — CID 106260859

IUPAC5-(2-methylpropyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1nnc(NC2CCN(CC(F)(F)F)CC2)s1
InChIInChI=1S/C13H21F3N4S/c1-9(2)7-11-18-19-12(21-11)17-10-3-5-20(6-4-10)8-13(14,15)16/h9-10H,3-8H2,1-2H3,(H,17,19)
InChIKeyGQKSILVFSYDUDM-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.18
Rot. Bonds5

About 5-(2-methylpropyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine

5-(2-methylpropyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 106260859) has the molecular formula C13H21F3N4S and a molecular weight of 322.40 g/mol. Its IUPAC name is 5-(2-methylpropyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-methylpropyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine
PubChem CID106260859
Molecular FormulaC13H21F3N4S
Molecular Weight322.40 g/mol
Exact Mass322.14
IUPAC Name5-(2-methylpropyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1nnc(NC2CCN(CC(F)(F)F)CC2)s1
InChIInChI=1S/C13H21F3N4S/c1-9(2)7-11-18-19-12(21-11)17-10-3-5-20(6-4-10)8-13(14,15)16/h9-10H,3-8H2,1-2H3,(H,17,19)
InChIKeyGQKSILVFSYDUDM-UHFFFAOYSA-N
XLogP3.18
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2-methylpropyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

2-propan-2-yl-5-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3,4-thiadiazole
CID 129397609
5-methyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 131933327
Methyl-piperidin-4-yl-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-amine
CID 59323568
Piperidin-4-yl-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-amine
CID 59323569
N-[(2S,3R)-1-tert-butyl-2-methylpiperidin-3-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 117630311
N-[(3R,4S)-3-fluoropiperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 178170928
N-Methyl-1-{1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl}methanamine
CID 45594300
N-propyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80608339
N-methyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80608429
N-ethyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80608520
N-propyl-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80608701
N-methyl-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 80608786

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-methylpropyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine (CID 106260859) is 5-(2-methylpropyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-methylpropyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-methylpropyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine is CC(C)Cc1nnc(NC2CCN(CC(F)(F)F)CC2)s1.
What is the InChIKey of 5-(2-methylpropyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is GQKSILVFSYDUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4S/c1-9(2)7-11-18-19-12(21-11)17-10-3-5-20(6-4-10)8-13(14,15)16/h9-10H,3-8H2,1-2H3,(H,17,19).
What are the key properties of 5-(2-methylpropyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine?
5-(2-methylpropyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 322.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 106260859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).