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

C9H13F3N4S — CID 107305464

IUPAC2-cyclopropyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine
SMILESCC(CN)(Nc1nc(C(F)(F)F)ns1)C1CC1
InChIInChI=1S/C9H13F3N4S/c1-8(4-13,5-2-3-5)15-7-14-6(16-17-7)9(10,11)12/h5H,2-4,13H2,1H3,(H,14,15,16)
InChIKeyQJIIDCCXFFLTPN-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.10
Rot. Bonds4

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

2-cyclopropyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine (PubChem CID 107305464) has the molecular formula C9H13F3N4S and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-cyclopropyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine.

Molecular Properties

Compound Name2-cyclopropyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine
PubChem CID107305464
Molecular FormulaC9H13F3N4S
Molecular Weight266.29 g/mol
Exact Mass266.08
IUPAC Name2-cyclopropyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine
SMILESCC(CN)(Nc1nc(C(F)(F)F)ns1)C1CC1
InChIInChI=1S/C9H13F3N4S/c1-8(4-13,5-2-3-5)15-7-14-6(16-17-7)9(10,11)12/h5H,2-4,13H2,1H3,(H,14,15,16)
InChIKeyQJIIDCCXFFLTPN-UHFFFAOYSA-N
XLogP2.10
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine?
The IUPAC name of 2-cyclopropyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine (CID 107305464) is 2-cyclopropyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine.
What is the SMILES notation for 2-cyclopropyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine?
The canonical SMILES for 2-cyclopropyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine is CC(CN)(Nc1nc(C(F)(F)F)ns1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine?
The InChIKey is QJIIDCCXFFLTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4S/c1-8(4-13,5-2-3-5)15-7-14-6(16-17-7)9(10,11)12/h5H,2-4,13H2,1H3,(H,14,15,16).
What are the key properties of 2-cyclopropyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine?
2-cyclopropyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine has a molecular weight of 266.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine is sourced from PubChem (CID 107305464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).