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

C11H17F3N4S — CID 107305468

IUPAC1-cyclohexyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
SMILESNCC(Nc1nc(C(F)(F)F)ns1)C1CCCCC1
InChIInChI=1S/C11H17F3N4S/c12-11(13,14)9-17-10(19-18-9)16-8(6-15)7-4-2-1-3-5-7/h7-8H,1-6,15H2,(H,16,17,18)
InChIKeyBUKARFOKSSURNB-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.88
Rot. Bonds4

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

1-cyclohexyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine (PubChem CID 107305468) has the molecular formula C11H17F3N4S and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-cyclohexyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
PubChem CID107305468
Molecular FormulaC11H17F3N4S
Molecular Weight294.35 g/mol
Exact Mass294.11
IUPAC Name1-cyclohexyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
SMILESNCC(Nc1nc(C(F)(F)F)ns1)C1CCCCC1
InChIInChI=1S/C11H17F3N4S/c12-11(13,14)9-17-10(19-18-9)16-8(6-15)7-4-2-1-3-5-7/h7-8H,1-6,15H2,(H,16,17,18)
InChIKeyBUKARFOKSSURNB-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 1-cyclohexyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-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

CID 91644106
CID 91644106
CID 89986770
CID 89986770
CID 136981905
CID 136981905
CID 105566429
CID 105566429
CID 105778734
CID 105778734
CID 106012675
CID 106012675
CID 106026591
CID 106026591
CID 106126618
CID 106126618
CID 106128078
CID 106128078
CID 106155171
CID 106155171
CID 106286922
CID 106286922
CID 106365617
CID 106365617

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine (CID 107305468) is 1-cyclohexyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine is NCC(Nc1nc(C(F)(F)F)ns1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine?
The InChIKey is BUKARFOKSSURNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4S/c12-11(13,14)9-17-10(19-18-9)16-8(6-15)7-4-2-1-3-5-7/h7-8H,1-6,15H2,(H,16,17,18).
What are the key properties of 1-cyclohexyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine?
1-cyclohexyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine 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 1-cyclohexyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 107305468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).