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

C8H13F3N4S — CID 133492289

IUPACN,N,N'-trimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
SMILESCN(C)CCN(C)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H13F3N4S/c1-14(2)4-5-15(3)7-13-12-6(16-7)8(9,10)11/h4-5H2,1-3H3
InChIKeyJSNQZXLOTGPJEV-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.55
Rot. Bonds4

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

N,N,N'-trimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine (PubChem CID 133492289) has the molecular formula C8H13F3N4S and a molecular weight of 254.28 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
PubChem CID133492289
Molecular FormulaC8H13F3N4S
Molecular Weight254.28 g/mol
Exact Mass254.08
IUPAC NameN,N,N'-trimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
SMILESCN(C)CCN(C)c1nnc(C(F)(F)F)s1
InChIInChI=1S/C8H13F3N4S/c1-14(2)4-5-15(3)7-13-12-6(16-7)8(9,10)11/h4-5H2,1-3H3
InChIKeyJSNQZXLOTGPJEV-UHFFFAOYSA-N
XLogP1.55
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine (CID 133492289) is N,N,N'-trimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine is CN(C)CCN(C)c1nnc(C(F)(F)F)s1.
What is the InChIKey of N,N,N'-trimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine?
The InChIKey is JSNQZXLOTGPJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4S/c1-14(2)4-5-15(3)7-13-12-6(16-7)8(9,10)11/h4-5H2,1-3H3.
What are the key properties of N,N,N'-trimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine has a molecular weight of 254.28 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 133492289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).