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

C10H17F3N4S — CID 114134174

IUPACN'-ethyl-N'-propyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
SMILESCCCN(CC)CCNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C10H17F3N4S/c1-3-6-17(4-2)7-5-14-9-16-15-8(18-9)10(11,12)13/h3-7H2,1-2H3,(H,14,16)
InChIKeyZPPOFNDGQXJVSP-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.70
Rot. Bonds7

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

N'-ethyl-N'-propyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine (PubChem CID 114134174) has the molecular formula C10H17F3N4S and a molecular weight of 282.33 g/mol. Its IUPAC name is N'-ethyl-N'-propyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-propyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
PubChem CID114134174
Molecular FormulaC10H17F3N4S
Molecular Weight282.33 g/mol
Exact Mass282.11
IUPAC NameN'-ethyl-N'-propyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
SMILESCCCN(CC)CCNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C10H17F3N4S/c1-3-6-17(4-2)7-5-14-9-16-15-8(18-9)10(11,12)13/h3-7H2,1-2H3,(H,14,16)
InChIKeyZPPOFNDGQXJVSP-UHFFFAOYSA-N
XLogP2.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N',N'-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
CID 114448040
N',N'-di(propan-2-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
CID 114448079
N'-methyl-N'-propan-2-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
CID 114448473
N,N-dimethyl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethanesulfonamide
CID 106339251
N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]hexane-1,6-diamine
CID 107845141
2-methyl-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butan-2-ol
CID 114448469
5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentanamide
CID 106238655
N-(2,3-dimethylbutyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114448606
4,4-dimethyl-1-[[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclohexan-1-ol
CID 114449710
tert-butyl N-[2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]carbamate
CID 114448421
3-ethyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pentane-1,2-diamine
CID 114168634
N-[2-(chloromethyl)-2-ethylbutyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 114164368

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-propyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-propyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine (CID 114134174) is N'-ethyl-N'-propyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-propyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-propyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine is CCCN(CC)CCNc1nnc(C(F)(F)F)s1.
What is the InChIKey of N'-ethyl-N'-propyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine?
The InChIKey is ZPPOFNDGQXJVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4S/c1-3-6-17(4-2)7-5-14-9-16-15-8(18-9)10(11,12)13/h3-7H2,1-2H3,(H,14,16).
What are the key properties of N'-ethyl-N'-propyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine?
N'-ethyl-N'-propyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine has a molecular weight of 282.33 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-propyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 114134174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).