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

C9H15F3N4S — CID 86800409

IUPAC2-N,2-N,2-trimethyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine
SMILESCN(C)C(C)(C)CNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C9H15F3N4S/c1-8(2,16(3)4)5-13-7-15-14-6(17-7)9(10,11)12/h5H2,1-4H3,(H,13,15)
InChIKeyFLIMSXVICIIFQT-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.31
Rot. Bonds4

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

2-N,2-N,2-trimethyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine (PubChem CID 86800409) has the molecular formula C9H15F3N4S and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-N,2-N,2-trimethyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,2-trimethyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine
PubChem CID86800409
Molecular FormulaC9H15F3N4S
Molecular Weight268.31 g/mol
Exact Mass268.10
IUPAC Name2-N,2-N,2-trimethyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine
SMILESCN(C)C(C)(C)CNc1nnc(C(F)(F)F)s1
InChIInChI=1S/C9H15F3N4S/c1-8(2,16(3)4)5-13-7-15-14-6(17-7)9(10,11)12/h5H2,1-4H3,(H,13,15)
InChIKeyFLIMSXVICIIFQT-UHFFFAOYSA-N
XLogP2.31
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,2-trimethyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine?
The IUPAC name of 2-N,2-N,2-trimethyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine (CID 86800409) is 2-N,2-N,2-trimethyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,2-trimethyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine?
The canonical SMILES for 2-N,2-N,2-trimethyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine is CN(C)C(C)(C)CNc1nnc(C(F)(F)F)s1.
What is the InChIKey of 2-N,2-N,2-trimethyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine?
The InChIKey is FLIMSXVICIIFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4S/c1-8(2,16(3)4)5-13-7-15-14-6(17-7)9(10,11)12/h5H2,1-4H3,(H,13,15).
What are the key properties of 2-N,2-N,2-trimethyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine?
2-N,2-N,2-trimethyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine has a molecular weight of 268.31 g/mol, XLogP of 2.31, 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,2-trimethyl-1-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine is sourced from PubChem (CID 86800409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).