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

C10H15F3N4S — CID 106128078

IUPACN-[(3-aminocyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESNC1CCCC(CNc2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C10H15F3N4S/c11-10(12,13)8-16-9(18-17-8)15-5-6-2-1-3-7(14)4-6/h6-7H,1-5,14H2,(H,15,16,17)
InChIKeyRTFXPTJDKWTNIO-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.49
Rot. Bonds3

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

N-[(3-aminocyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 106128078) has the molecular formula C10H15F3N4S and a molecular weight of 280.32 g/mol. Its IUPAC name is N-[(3-aminocyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(3-aminocyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID106128078
Molecular FormulaC10H15F3N4S
Molecular Weight280.32 g/mol
Exact Mass280.10
IUPAC NameN-[(3-aminocyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESNC1CCCC(CNc2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C10H15F3N4S/c11-10(12,13)8-16-9(18-17-8)15-5-6-2-1-3-7(14)4-6/h6-7H,1-5,14H2,(H,15,16,17)
InChIKeyRTFXPTJDKWTNIO-UHFFFAOYSA-N
XLogP2.49
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3-aminocyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-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-[(3-aminocyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(3-aminocyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 106128078) is N-[(3-aminocyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(3-aminocyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(3-aminocyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is NC1CCCC(CNc2nc(C(F)(F)F)ns2)C1.
What is the InChIKey of N-[(3-aminocyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is RTFXPTJDKWTNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4S/c11-10(12,13)8-16-9(18-17-8)15-5-6-2-1-3-7(14)4-6/h6-7H,1-5,14H2,(H,15,16,17).
What are the key properties of N-[(3-aminocyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-[(3-aminocyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 280.32 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclohexyl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 106128078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).