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

C9H15F3N4S — CID 107306308

IUPAC4-methyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine
SMILESCC(C)CC(N)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H15F3N4S/c1-5(2)3-6(13)4-14-8-15-7(16-17-8)9(10,11)12/h5-6H,3-4,13H2,1-2H3,(H,14,15,16)
InChIKeyLQFQRCBIOHXMFF-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.34
Rot. Bonds5

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

4-methyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine (PubChem CID 107306308) has the molecular formula C9H15F3N4S and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-methyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine.

Molecular Properties

Compound Name4-methyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine
PubChem CID107306308
Molecular FormulaC9H15F3N4S
Molecular Weight268.31 g/mol
Exact Mass268.10
IUPAC Name4-methyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine
SMILESCC(C)CC(N)CNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H15F3N4S/c1-5(2)3-6(13)4-14-8-15-7(16-17-8)9(10,11)12/h5-6H,3-4,13H2,1-2H3,(H,14,15,16)
InChIKeyLQFQRCBIOHXMFF-UHFFFAOYSA-N
XLogP2.34
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine 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

N-(2-ethylbutyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305185
3-tert-butyl-N-(2-chloro-4-methylpentyl)-1,2,4-thiadiazol-5-amine
CID 107156296
N-(4-chloropentyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 106124620
1-(4-aminophenyl)-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107305563
2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 107304692
N-(3-chloro-2-methylbutan-2-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107306182
N-octyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305075
N-(3-chloro-2,2-dimethylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107306150
N-(2-methoxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304642
2,2-difluoro-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
CID 106171882
N-[(4-methylthiophen-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305049
N-(2-methylsulfonylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304751

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine?
The IUPAC name of 4-methyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine (CID 107306308) is 4-methyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine.
What is the SMILES notation for 4-methyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine?
The canonical SMILES for 4-methyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine is CC(C)CC(N)CNc1nc(C(F)(F)F)ns1.
What is the InChIKey of 4-methyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine?
The InChIKey is LQFQRCBIOHXMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4S/c1-5(2)3-6(13)4-14-8-15-7(16-17-8)9(10,11)12/h5-6H,3-4,13H2,1-2H3,(H,14,15,16).
What are the key properties of 4-methyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine?
4-methyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine has a molecular weight of 268.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine is sourced from PubChem (CID 107306308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).