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

C9H15F3N4S — CID 107305470

IUPAC2,3-dimethyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,2-diamine
SMILESCC(C)C(C)(CN)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H15F3N4S/c1-5(2)8(3,4-13)15-7-14-6(16-17-7)9(10,11)12/h5H,4,13H2,1-3H3,(H,14,15,16)
InChIKeyOCAUNPICIBCHRI-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.34
Rot. Bonds4

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

2,3-dimethyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,2-diamine (PubChem CID 107305470) has the molecular formula C9H15F3N4S and a molecular weight of 268.31 g/mol. Its IUPAC name is 2,3-dimethyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,2-diamine.

Molecular Properties

Compound Name2,3-dimethyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,2-diamine
PubChem CID107305470
Molecular FormulaC9H15F3N4S
Molecular Weight268.31 g/mol
Exact Mass268.10
IUPAC Name2,3-dimethyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,2-diamine
SMILESCC(C)C(C)(CN)Nc1nc(C(F)(F)F)ns1
InChIInChI=1S/C9H15F3N4S/c1-5(2)8(3,4-13)15-7-14-6(16-17-7)9(10,11)12/h5H,4,13H2,1-3H3,(H,14,15,16)
InChIKeyOCAUNPICIBCHRI-UHFFFAOYSA-N
XLogP2.34
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,2-diamine?
The IUPAC name of 2,3-dimethyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,2-diamine (CID 107305470) is 2,3-dimethyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,2-diamine.
What is the SMILES notation for 2,3-dimethyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,2-diamine?
The canonical SMILES for 2,3-dimethyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,2-diamine is CC(C)C(C)(CN)Nc1nc(C(F)(F)F)ns1.
What is the InChIKey of 2,3-dimethyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,2-diamine?
The InChIKey is OCAUNPICIBCHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4S/c1-5(2)8(3,4-13)15-7-14-6(16-17-7)9(10,11)12/h5H,4,13H2,1-3H3,(H,14,15,16).
What are the key properties of 2,3-dimethyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,2-diamine?
2,3-dimethyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,2-diamine has a molecular weight of 268.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,2-diamine is sourced from PubChem (CID 107305470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).