(2S)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one

C18H24N4O2S — CID 51583727

IUPAC(2S)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one
SMILESC[C@@H](C(=O)N1CCN(c2nsc3ccccc23)CC1)N1CCOCC1
InChIInChI=1S/C18H24N4O2S/c1-14(20-10-12-24-13-11-20)18(23)22-8-6-21(7-9-22)17-15-4-2-3-5-16(15)25-19-17/h2-5,14H,6-13H2,1H3/t14-/m0/s1
InChIKeyFGLHVHYRPVPJCD-AWEZNQCLSA-N
MW360.48 g/mol
LogP1.67
Rot. Bonds3

About (2S)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one

(2S)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one (PubChem CID 51583727) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is (2S)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one
PubChem CID51583727
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name(2S)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one
SMILESC[C@@H](C(=O)N1CCN(c2nsc3ccccc23)CC1)N1CCOCC1
InChIInChI=1S/C18H24N4O2S/c1-14(20-10-12-24-13-11-20)18(23)22-8-6-21(7-9-22)17-15-4-2-3-5-16(15)25-19-17/h2-5,14H,6-13H2,1H3/t14-/m0/s1
InChIKeyFGLHVHYRPVPJCD-AWEZNQCLSA-N
XLogP1.67
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-(2-ethylimidazol-1-yl)-2-methylpropan-1-one
CID 46970094
[3-[4-(1,2-benzothiazol-3-yl)piperazine-1-carbonyl]-4-morpholin-4-ylphenyl]-oxoazanium
CID 143239067
1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-methyl-2-pyrrol-1-ylpropan-1-one
CID 118775576
3-pyrrolidin-1-yl-1,2-benzothiazole
CID 11074496
(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 46968893
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(1,3-dihydro-2-benzofuran-4-yl)methanone
CID 157019312
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-[(2R)-morpholin-2-yl]methanone
CID 95891534
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-morpholin-2-ylmethanone
CID 56908154
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 16764503
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)methanone
CID 4870859
2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 155974342

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one?
The IUPAC name of (2S)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one (CID 51583727) is (2S)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2S)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2S)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one is C[C@@H](C(=O)N1CCN(c2nsc3ccccc23)CC1)N1CCOCC1.
What is the InChIKey of (2S)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one?
The InChIKey is FGLHVHYRPVPJCD-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-14(20-10-12-24-13-11-20)18(23)22-8-6-21(7-9-22)17-15-4-2-3-5-16(15)25-19-17/h2-5,14H,6-13H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one?
(2S)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one has a molecular weight of 360.48 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 51583727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).