4-[4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]-6-ethylbenzene-1,3-diol

C18H15N3O2S — CID 679791

IUPAC4-[4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]-6-ethylbenzene-1,3-diol
SMILESCCc1cc(-c2[nH]ncc2-c2nc3ccccc3s2)c(O)cc1O
InChIInChI=1S/C18H15N3O2S/c1-2-10-7-11(15(23)8-14(10)22)17-12(9-19-21-17)18-20-13-5-3-4-6-16(13)24-18/h3-9,22-23H,2H2,1H3,(H,19,21)
InChIKeyMAHVSWNEDMQEHX-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.33
Rot. Bonds3

About 4-[4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]-6-ethylbenzene-1,3-diol

4-[4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]-6-ethylbenzene-1,3-diol (PubChem CID 679791) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 4-[4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]-6-ethylbenzene-1,3-diol.

Molecular Properties

Compound Name4-[4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]-6-ethylbenzene-1,3-diol
PubChem CID679791
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name4-[4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]-6-ethylbenzene-1,3-diol
SMILESCCc1cc(-c2[nH]ncc2-c2nc3ccccc3s2)c(O)cc1O
InChIInChI=1S/C18H15N3O2S/c1-2-10-7-11(15(23)8-14(10)22)17-12(9-19-21-17)18-20-13-5-3-4-6-16(13)24-18/h3-9,22-23H,2H2,1H3,(H,19,21)
InChIKeyMAHVSWNEDMQEHX-UHFFFAOYSA-N
XLogP4.33
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]-6-ethylbenzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]-6-ethylbenzene-1,3-diol?
The IUPAC name of 4-[4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]-6-ethylbenzene-1,3-diol (CID 679791) is 4-[4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]-6-ethylbenzene-1,3-diol.
What is the SMILES notation for 4-[4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]-6-ethylbenzene-1,3-diol?
The canonical SMILES for 4-[4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]-6-ethylbenzene-1,3-diol is CCc1cc(-c2[nH]ncc2-c2nc3ccccc3s2)c(O)cc1O.
What is the InChIKey of 4-[4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]-6-ethylbenzene-1,3-diol?
The InChIKey is MAHVSWNEDMQEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-2-10-7-11(15(23)8-14(10)22)17-12(9-19-21-17)18-20-13-5-3-4-6-16(13)24-18/h3-9,22-23H,2H2,1H3,(H,19,21).
What are the key properties of 4-[4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]-6-ethylbenzene-1,3-diol?
4-[4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]-6-ethylbenzene-1,3-diol has a molecular weight of 337.40 g/mol, XLogP of 4.33, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]-6-ethylbenzene-1,3-diol is sourced from PubChem (CID 679791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).