4-[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]benzene-1,3-diol

C15H19N3O2S — CID 122668603

IUPAC4-[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]benzene-1,3-diol
SMILESCCN1CCN(c2nc(-c3ccc(O)cc3O)cs2)CC1
InChIInChI=1S/C15H19N3O2S/c1-2-17-5-7-18(8-6-17)15-16-13(10-21-15)12-4-3-11(19)9-14(12)20/h3-4,9-10,19-20H,2,5-8H2,1H3
InChIKeyNAHAHEJWRCAWCK-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.36
Rot. Bonds3

About 4-[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]benzene-1,3-diol

4-[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]benzene-1,3-diol (PubChem CID 122668603) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]benzene-1,3-diol
PubChem CID122668603
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4-[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]benzene-1,3-diol
SMILESCCN1CCN(c2nc(-c3ccc(O)cc3O)cs2)CC1
InChIInChI=1S/C15H19N3O2S/c1-2-17-5-7-18(8-6-17)15-16-13(10-21-15)12-4-3-11(19)9-14(12)20/h3-4,9-10,19-20H,2,5-8H2,1H3
InChIKeyNAHAHEJWRCAWCK-UHFFFAOYSA-N
XLogP2.36
TPSA59.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]benzene-1,3-diol?
The IUPAC name of 4-[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]benzene-1,3-diol (CID 122668603) is 4-[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]benzene-1,3-diol?
The canonical SMILES for 4-[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]benzene-1,3-diol is CCN1CCN(c2nc(-c3ccc(O)cc3O)cs2)CC1.
What is the InChIKey of 4-[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]benzene-1,3-diol?
The InChIKey is NAHAHEJWRCAWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-2-17-5-7-18(8-6-17)15-16-13(10-21-15)12-4-3-11(19)9-14(12)20/h3-4,9-10,19-20H,2,5-8H2,1H3.
What are the key properties of 4-[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]benzene-1,3-diol?
4-[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]benzene-1,3-diol has a molecular weight of 305.40 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-4-yl]benzene-1,3-diol is sourced from PubChem (CID 122668603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).