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

C8H13F3N4S — CID 107304789

IUPAC2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine
SMILESCC(CNc1nc(C(F)(F)F)ns1)N(C)C
InChIInChI=1S/C8H13F3N4S/c1-5(15(2)3)4-12-7-13-6(14-16-7)8(9,10)11/h5H,4H2,1-3H3,(H,12,13,14)
InChIKeyYZICHZRLAUKKKA-UHFFFAOYSA-N
MW254.28 g/mol
LogP1.92
Rot. Bonds4

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

2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine (PubChem CID 107304789) has the molecular formula C8H13F3N4S and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine
PubChem CID107304789
Molecular FormulaC8H13F3N4S
Molecular Weight254.28 g/mol
Exact Mass254.08
IUPAC Name2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine
SMILESCC(CNc1nc(C(F)(F)F)ns1)N(C)C
InChIInChI=1S/C8H13F3N4S/c1-5(15(2)3)4-12-7-13-6(14-16-7)8(9,10)11/h5H,4H2,1-3H3,(H,12,13,14)
InChIKeyYZICHZRLAUKKKA-UHFFFAOYSA-N
XLogP1.92
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine (CID 107304789) is 2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine is CC(CNc1nc(C(F)(F)F)ns1)N(C)C.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine?
The InChIKey is YZICHZRLAUKKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4S/c1-5(15(2)3)4-12-7-13-6(14-16-7)8(9,10)11/h5H,4H2,1-3H3,(H,12,13,14).
What are the key properties of 2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine?
2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine has a molecular weight of 254.28 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine is sourced from PubChem (CID 107304789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).