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

C11H17F3N4S — CID 114450413

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESNCC1(CNc2nnc(C(F)(F)F)s2)CCCCC1
InChIInChI=1S/C11H17F3N4S/c12-11(13,14)8-17-18-9(19-8)16-7-10(6-15)4-2-1-3-5-10/h1-7,15H2,(H,16,18)
InChIKeyIKAZHEVTSPDJAM-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.88
Rot. Bonds4

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

N-[[1-(aminomethyl)cyclohexyl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 114450413) has the molecular formula C11H17F3N4S and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID114450413
Molecular FormulaC11H17F3N4S
Molecular Weight294.35 g/mol
Exact Mass294.11
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESNCC1(CNc2nnc(C(F)(F)F)s2)CCCCC1
InChIInChI=1S/C11H17F3N4S/c12-11(13,14)8-17-18-9(19-8)16-7-10(6-15)4-2-1-3-5-10/h1-7,15H2,(H,16,18)
InChIKeyIKAZHEVTSPDJAM-UHFFFAOYSA-N
XLogP2.88
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[1-(aminomethyl)cyclohexyl]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

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 114450413) is N-[[1-(aminomethyl)cyclohexyl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is NCC1(CNc2nnc(C(F)(F)F)s2)CCCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is IKAZHEVTSPDJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4S/c12-11(13,14)8-17-18-9(19-8)16-7-10(6-15)4-2-1-3-5-10/h1-7,15H2,(H,16,18).
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[[1-(aminomethyl)cyclohexyl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 294.35 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclohexyl]methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 114450413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).