1-(4-acetylpiperazin-1-yl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanone

C18H19N3O3S2 — CID 51172564

IUPAC1-(4-acetylpiperazin-1-yl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanone
SMILESCC(=O)N1CCN(C(=O)COc2cc3sc(C)nc3c3sccc23)CC1
InChIInChI=1S/C18H19N3O3S2/c1-11-19-17-15(26-11)9-14(13-3-8-25-18(13)17)24-10-16(23)21-6-4-20(5-7-21)12(2)22/h3,8-9H,4-7,10H2,1-2H3
InChIKeyNDVNBLVSNPFWGO-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.89
Rot. Bonds3

About 1-(4-acetylpiperazin-1-yl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanone

1-(4-acetylpiperazin-1-yl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanone (PubChem CID 51172564) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanone
PubChem CID51172564
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanone
SMILESCC(=O)N1CCN(C(=O)COc2cc3sc(C)nc3c3sccc23)CC1
InChIInChI=1S/C18H19N3O3S2/c1-11-19-17-15(26-11)9-14(13-3-8-25-18(13)17)24-10-16(23)21-6-4-20(5-7-21)12(2)22/h3,8-9H,4-7,10H2,1-2H3
InChIKeyNDVNBLVSNPFWGO-UHFFFAOYSA-N
XLogP2.89
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanone (CID 51172564) is 1-(4-acetylpiperazin-1-yl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanone is CC(=O)N1CCN(C(=O)COc2cc3sc(C)nc3c3sccc23)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanone?
The InChIKey is NDVNBLVSNPFWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-11-19-17-15(26-11)9-14(13-3-8-25-18(13)17)24-10-16(23)21-6-4-20(5-7-21)12(2)22/h3,8-9H,4-7,10H2,1-2H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanone?
1-(4-acetylpiperazin-1-yl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanone has a molecular weight of 389.50 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyethanone is sourced from PubChem (CID 51172564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).