5-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole

C13H24N4OS — CID 95785318

IUPAC5-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
SMILESCOC[C@H](C)N1CCN(c2nc(C(C)C)ns2)CC1
InChIInChI=1S/C13H24N4OS/c1-10(2)12-14-13(19-15-12)17-7-5-16(6-8-17)11(3)9-18-4/h10-11H,5-9H2,1-4H3/t11-/m0/s1
InChIKeyXKYAPLRJRDYLAA-NSHDSACASA-N
MW284.43 g/mol
LogP1.82
Rot. Bonds5

About 5-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole

5-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 95785318) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 5-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID95785318
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name5-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
SMILESCOC[C@H](C)N1CCN(c2nc(C(C)C)ns2)CC1
InChIInChI=1S/C13H24N4OS/c1-10(2)12-14-13(19-15-12)17-7-5-16(6-8-17)11(3)9-18-4/h10-11H,5-9H2,1-4H3/t11-/m0/s1
InChIKeyXKYAPLRJRDYLAA-NSHDSACASA-N
XLogP1.82
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole (CID 95785318) is 5-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole is COC[C@H](C)N1CCN(c2nc(C(C)C)ns2)CC1.
What is the InChIKey of 5-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is XKYAPLRJRDYLAA-NSHDSACASA-N. The full InChI is InChI=1S/C13H24N4OS/c1-10(2)12-14-13(19-15-12)17-7-5-16(6-8-17)11(3)9-18-4/h10-11H,5-9H2,1-4H3/t11-/m0/s1.
What are the key properties of 5-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole?
5-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 284.43 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 95785318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).