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

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

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Related Compounds

4-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
CID 71866356
4-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)morpholine
CID 71925342
(2R,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
CID 98793337
3-Methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
CID 71861557
(2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylmorpholine
CID 96566785
(3S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-methylmorpholine
CID 97059887
(3R)-3-cyclopropyl-4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholine
CID 97827283
1-[2-Methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-2-ol
CID 136528487
(5R)-6-methyl-9-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]-2-oxa-6,9-diazaspiro[4.5]decane
CID 164640796
(2R,6S)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
CID 97009069
(2S,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
CID 98793335
3-(2-Methoxyethyl)-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133369769

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).