ethane;2-(2,3,5,6-tetramethylpiperazin-1-yl)-1,3-benzothiazole;vanadium

C19H33N3SV — CID 158315434

IUPACethane;2-(2,3,5,6-tetramethylpiperazin-1-yl)-1,3-benzothiazole;vanadium
SMILESCC.CC.CC1NC(C)C(C)N(c2nc3ccccc3s2)C1C.[V]
InChIInChI=1S/C15H21N3S.2C2H6.V/c1-9-11(3)18(12(4)10(2)16-9)15-17-13-7-5-6-8-14(13)19-15;2*1-2;/h5-12,16H,1-4H3;2*1-2H3;
InChIKeyGOEYEONFFXFPKB-UHFFFAOYSA-N
MW386.51 g/mol
LogP5.31
Rot. Bonds1

About ethane;2-(2,3,5,6-tetramethylpiperazin-1-yl)-1,3-benzothiazole;vanadium

ethane;2-(2,3,5,6-tetramethylpiperazin-1-yl)-1,3-benzothiazole;vanadium (PubChem CID 158315434) has the molecular formula C19H33N3SV and a molecular weight of 386.51 g/mol. Its IUPAC name is ethane;2-(2,3,5,6-tetramethylpiperazin-1-yl)-1,3-benzothiazole;vanadium.

Molecular Properties

Compound Nameethane;2-(2,3,5,6-tetramethylpiperazin-1-yl)-1,3-benzothiazole;vanadium
PubChem CID158315434
Molecular FormulaC19H33N3SV
Molecular Weight386.51 g/mol
Exact Mass386.18
IUPAC Nameethane;2-(2,3,5,6-tetramethylpiperazin-1-yl)-1,3-benzothiazole;vanadium
SMILESCC.CC.CC1NC(C)C(C)N(c2nc3ccccc3s2)C1C.[V]
InChIInChI=1S/C15H21N3S.2C2H6.V/c1-9-11(3)18(12(4)10(2)16-9)15-17-13-7-5-6-8-14(13)19-15;2*1-2;/h5-12,16H,1-4H3;2*1-2H3;
InChIKeyGOEYEONFFXFPKB-UHFFFAOYSA-N
XLogP5.31
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.51
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-3-methylpiperazin-1-yl]-1,3-benzothiazole
CID 94450634
(1S,5R)-9-(1,3-benzothiazol-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 163310507
2-[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-1,3-benzothiazole
CID 129479789
2-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1,3-benzothiazole
CID 66208286
2-(2-methyl-4,5-dihydroimidazol-1-yl)-1,3-benzothiazole
CID 15176220
CID 58036200
CID 58036200
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-1,3-benzothiazole
CID 60916528
2-[1-(3,5-dimethylpiperazin-1-yl)ethyl]-1,3-benzothiazole
CID 63861175
2-(3-chloro-4-methylpiperidin-1-yl)-1,3-benzothiazole
CID 102960755
(3aR,7aR)-2-(1,3-benzothiazol-2-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2253497
2-(1,3-benzothiazol-2-yl)-3-methyl-1H-1,2,4-triazol-5-one
CID 115371955
2-piperazin-1-yl-1,3-benzothiazole;hydrochloride
CID 45286058

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2,3,5,6-tetramethylpiperazin-1-yl)-1,3-benzothiazole;vanadium?
The IUPAC name of ethane;2-(2,3,5,6-tetramethylpiperazin-1-yl)-1,3-benzothiazole;vanadium (CID 158315434) is ethane;2-(2,3,5,6-tetramethylpiperazin-1-yl)-1,3-benzothiazole;vanadium.
What is the SMILES notation for ethane;2-(2,3,5,6-tetramethylpiperazin-1-yl)-1,3-benzothiazole;vanadium?
The canonical SMILES for ethane;2-(2,3,5,6-tetramethylpiperazin-1-yl)-1,3-benzothiazole;vanadium is CC.CC.CC1NC(C)C(C)N(c2nc3ccccc3s2)C1C.[V].
What is the InChIKey of ethane;2-(2,3,5,6-tetramethylpiperazin-1-yl)-1,3-benzothiazole;vanadium?
The InChIKey is GOEYEONFFXFPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S.2C2H6.V/c1-9-11(3)18(12(4)10(2)16-9)15-17-13-7-5-6-8-14(13)19-15;2*1-2;/h5-12,16H,1-4H3;2*1-2H3;.
What are the key properties of ethane;2-(2,3,5,6-tetramethylpiperazin-1-yl)-1,3-benzothiazole;vanadium?
ethane;2-(2,3,5,6-tetramethylpiperazin-1-yl)-1,3-benzothiazole;vanadium has a molecular weight of 386.51 g/mol, XLogP of 5.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2,3,5,6-tetramethylpiperazin-1-yl)-1,3-benzothiazole;vanadium is sourced from PubChem (CID 158315434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).