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

C6H10F2N4S — CID 130563536

IUPAC2-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine
SMILESCC(CN)Nc1nnc(C(F)F)s1
InChIInChI=1S/C6H10F2N4S/c1-3(2-9)10-6-12-11-5(13-6)4(7)8/h3-4H,2,9H2,1H3,(H,10,12)
InChIKeyOBKOJABQCHIUCV-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.23
Rot. Bonds4

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

2-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine (PubChem CID 130563536) has the molecular formula C6H10F2N4S and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine
PubChem CID130563536
Molecular FormulaC6H10F2N4S
Molecular Weight208.24 g/mol
Exact Mass208.06
IUPAC Name2-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine
SMILESCC(CN)Nc1nnc(C(F)F)s1
InChIInChI=1S/C6H10F2N4S/c1-3(2-9)10-6-12-11-5(13-6)4(7)8/h3-4H,2,9H2,1H3,(H,10,12)
InChIKeyOBKOJABQCHIUCV-UHFFFAOYSA-N
XLogP1.23
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine?
The IUPAC name of 2-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine (CID 130563536) is 2-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine?
The canonical SMILES for 2-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine is CC(CN)Nc1nnc(C(F)F)s1.
What is the InChIKey of 2-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine?
The InChIKey is OBKOJABQCHIUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N4S/c1-3(2-9)10-6-12-11-5(13-6)4(7)8/h3-4H,2,9H2,1H3,(H,10,12).
What are the key properties of 2-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine?
2-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine has a molecular weight of 208.24 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]propane-1,2-diamine is sourced from PubChem (CID 130563536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).