N-[(1-methylpyrrolidin-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C9H13F3N4S — CID 106027097

IUPACN-[(1-methylpyrrolidin-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCN1CCCC1CNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C9H13F3N4S/c1-16-4-2-3-6(16)5-13-8-15-14-7(17-8)9(10,11)12/h6H,2-5H2,1H3,(H,13,15)
InChIKeyQQHUSAJOPCYCLO-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.06
Rot. Bonds3

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

N-[(1-methylpyrrolidin-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 106027097) has the molecular formula C9H13F3N4S and a molecular weight of 266.29 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID106027097
Molecular FormulaC9H13F3N4S
Molecular Weight266.29 g/mol
Exact Mass266.08
IUPAC NameN-[(1-methylpyrrolidin-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCN1CCCC1CNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C9H13F3N4S/c1-16-4-2-3-6(16)5-13-8-15-14-7(17-8)9(10,11)12/h6H,2-5H2,1H3,(H,13,15)
InChIKeyQQHUSAJOPCYCLO-UHFFFAOYSA-N
XLogP2.06
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-methylpyrrolidin-2-yl)methyl]-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

Related Compounds

2-N,2-N,2-trimethyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine
CID 86800409
N-hexyl-1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-amine
CID 21405928
N-hexyl-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 21544995
N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,5-diamine
CID 59230097
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-(piperidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114449859
N-((1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 117605033
N-[(2S,3R)-1-tert-butyl-2-methylpiperidin-3-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 117630311
N-[[(2R)-3,3-difluoro-1-methylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 166810497
5-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 65209098
5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80606785

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 106027097) is N-[(1-methylpyrrolidin-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(1-methylpyrrolidin-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(1-methylpyrrolidin-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CN1CCCC1CNc1nnc(C(F)(F)F)s1.
What is the InChIKey of N-[(1-methylpyrrolidin-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is QQHUSAJOPCYCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4S/c1-16-4-2-3-6(16)5-13-8-15-14-7(17-8)9(10,11)12/h6H,2-5H2,1H3,(H,13,15).
What are the key properties of N-[(1-methylpyrrolidin-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[(1-methylpyrrolidin-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 266.29 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 106027097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).