2-(2-fluoropropan-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole

C9H15FN4S — CID 91185687

IUPAC2-(2-fluoropropan-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole
SMILESCC(C)(F)c1nnc(N2CCNCC2)s1
InChIInChI=1S/C9H15FN4S/c1-9(2,10)7-12-13-8(15-7)14-5-3-11-4-6-14/h11H,3-6H2,1-2H3
InChIKeyGWJHWGYCCUWHEL-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.15
Rot. Bonds2

About 2-(2-fluoropropan-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole

2-(2-fluoropropan-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole (PubChem CID 91185687) has the molecular formula C9H15FN4S and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole
PubChem CID91185687
Molecular FormulaC9H15FN4S
Molecular Weight230.31 g/mol
Exact Mass230.10
IUPAC Name2-(2-fluoropropan-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole
SMILESCC(C)(F)c1nnc(N2CCNCC2)s1
InChIInChI=1S/C9H15FN4S/c1-9(2,10)7-12-13-8(15-7)14-5-3-11-4-6-14/h11H,3-6H2,1-2H3
InChIKeyGWJHWGYCCUWHEL-UHFFFAOYSA-N
XLogP1.15
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropan-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole?
The IUPAC name of 2-(2-fluoropropan-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole (CID 91185687) is 2-(2-fluoropropan-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2-fluoropropan-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-(2-fluoropropan-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole is CC(C)(F)c1nnc(N2CCNCC2)s1.
What is the InChIKey of 2-(2-fluoropropan-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole?
The InChIKey is GWJHWGYCCUWHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4S/c1-9(2,10)7-12-13-8(15-7)14-5-3-11-4-6-14/h11H,3-6H2,1-2H3.
What are the key properties of 2-(2-fluoropropan-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole?
2-(2-fluoropropan-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole has a molecular weight of 230.31 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropan-2-yl)-5-piperazin-1-yl-1,3,4-thiadiazole is sourced from PubChem (CID 91185687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).