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

C9H15F3N4S — CID 107304652

IUPACN',N'-diethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
SMILESCCN(CC)CCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H15F3N4S/c1-3-16(4-2)6-5-13-8-14-7(15-17-8)9(10,11)12/h3-6H2,1-2H3,(H,13,14,15)
InChIKeyKQKVDGAOIOGSLT-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.31
Rot. Bonds6

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

N',N'-diethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine (PubChem CID 107304652) has the molecular formula C9H15F3N4S and a molecular weight of 268.31 g/mol. Its IUPAC name is N',N'-diethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
PubChem CID107304652
Molecular FormulaC9H15F3N4S
Molecular Weight268.31 g/mol
Exact Mass268.10
IUPAC NameN',N'-diethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
SMILESCCN(CC)CCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H15F3N4S/c1-3-16(4-2)6-5-13-8-14-7(15-17-8)9(10,11)12/h3-6H2,1-2H3,(H,13,14,15)
InChIKeyKQKVDGAOIOGSLT-UHFFFAOYSA-N
XLogP2.31
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Piperazin-1-yl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 53418310
N-propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304640
N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304649
3-methyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65268223
3-methyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268372
N-ethyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268635
N-propyl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65269158
3-tert-butyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274379
3-propyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274436
3-ethyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274437
3-methyl-N-(4,4,4-trifluorobutyl)-1,2,4-thiadiazol-5-amine
CID 79040764
N-(2,2-difluoroethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 79099578

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine (CID 107304652) is N',N'-diethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine is CCN(CC)CCNc1nc(C(F)(F)F)ns1.
What is the InChIKey of N',N'-diethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine?
The InChIKey is KQKVDGAOIOGSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4S/c1-3-16(4-2)6-5-13-8-14-7(15-17-8)9(10,11)12/h3-6H2,1-2H3,(H,13,14,15).
What are the key properties of N',N'-diethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine?
N',N'-diethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine has a molecular weight of 268.31 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 107304652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).