2-(4-ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

C13H21N3OS — CID 55111933

IUPAC2-(4-ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCCN1CCN(c2nc3c(s2)C(O)CCC3)CC1
InChIInChI=1S/C13H21N3OS/c1-2-15-6-8-16(9-7-15)13-14-10-4-3-5-11(17)12(10)18-13/h11,17H,2-9H2,1H3
InChIKeyBSTRPNYJYMOAIP-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.65
Rot. Bonds2

About 2-(4-ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol

2-(4-ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (PubChem CID 55111933) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
PubChem CID55111933
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name2-(4-ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
SMILESCCN1CCN(c2nc3c(s2)C(O)CCC3)CC1
InChIInChI=1S/C13H21N3OS/c1-2-15-6-8-16(9-7-15)13-14-10-4-3-5-11(17)12(10)18-13/h11,17H,2-9H2,1H3
InChIKeyBSTRPNYJYMOAIP-UHFFFAOYSA-N
XLogP1.65
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol (CID 55111933) is 2-(4-ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is CCN1CCN(c2nc3c(s2)C(O)CCC3)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
The InChIKey is BSTRPNYJYMOAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-2-15-6-8-16(9-7-15)13-14-10-4-3-5-11(17)12(10)18-13/h11,17H,2-9H2,1H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol?
2-(4-ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol has a molecular weight of 267.40 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol is sourced from PubChem (CID 55111933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).