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

C7H11F3N4S — CID 114448040

IUPACN',N'-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
SMILESCN(C)CCNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C7H11F3N4S/c1-14(2)4-3-11-6-13-12-5(15-6)7(8,9)10/h3-4H2,1-2H3,(H,11,13)
InChIKeyZSDIVMVQLMKQRC-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.53
Rot. Bonds4

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

N',N'-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine (PubChem CID 114448040) has the molecular formula C7H11F3N4S and a molecular weight of 240.25 g/mol. Its IUPAC name is N',N'-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
PubChem CID114448040
Molecular FormulaC7H11F3N4S
Molecular Weight240.25 g/mol
Exact Mass240.07
IUPAC NameN',N'-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine
SMILESCN(C)CCNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C7H11F3N4S/c1-14(2)4-3-11-6-13-12-5(15-6)7(8,9)10/h3-4H2,1-2H3,(H,11,13)
InChIKeyZSDIVMVQLMKQRC-UHFFFAOYSA-N
XLogP1.53
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine (CID 114448040) is N',N'-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine is CN(C)CCNc1nnc(C(F)(F)F)s1.
What is the InChIKey of N',N'-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine?
The InChIKey is ZSDIVMVQLMKQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4S/c1-14(2)4-3-11-6-13-12-5(15-6)7(8,9)10/h3-4H2,1-2H3,(H,11,13).
What are the key properties of N',N'-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine?
N',N'-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine has a molecular weight of 240.25 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 114448040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).