4-ethyl-6-[5-(1,3-thiazol-4-yl)-1H-pyrazol-4-yl]benzene-1,3-diol

C14H13N3O2S — CID 58948835

IUPAC4-ethyl-6-[5-(1,3-thiazol-4-yl)-1H-pyrazol-4-yl]benzene-1,3-diol
SMILESCCc1cc(-c2cn[nH]c2-c2cscn2)c(O)cc1O
InChIInChI=1S/C14H13N3O2S/c1-2-8-3-9(13(19)4-12(8)18)10-5-16-17-14(10)11-6-20-7-15-11/h3-7,18-19H,2H2,1H3,(H,16,17)
InChIKeyRSCDWROXFNXYCJ-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.17
Rot. Bonds3

About 4-ethyl-6-[5-(1,3-thiazol-4-yl)-1H-pyrazol-4-yl]benzene-1,3-diol

4-ethyl-6-[5-(1,3-thiazol-4-yl)-1H-pyrazol-4-yl]benzene-1,3-diol (PubChem CID 58948835) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-ethyl-6-[5-(1,3-thiazol-4-yl)-1H-pyrazol-4-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-ethyl-6-[5-(1,3-thiazol-4-yl)-1H-pyrazol-4-yl]benzene-1,3-diol
PubChem CID58948835
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name4-ethyl-6-[5-(1,3-thiazol-4-yl)-1H-pyrazol-4-yl]benzene-1,3-diol
SMILESCCc1cc(-c2cn[nH]c2-c2cscn2)c(O)cc1O
InChIInChI=1S/C14H13N3O2S/c1-2-8-3-9(13(19)4-12(8)18)10-5-16-17-14(10)11-6-20-7-15-11/h3-7,18-19H,2H2,1H3,(H,16,17)
InChIKeyRSCDWROXFNXYCJ-UHFFFAOYSA-N
XLogP3.17
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[5-(1,3-thiazol-4-yl)-1H-pyrazol-4-yl]benzene-1,3-diol?
The IUPAC name of 4-ethyl-6-[5-(1,3-thiazol-4-yl)-1H-pyrazol-4-yl]benzene-1,3-diol (CID 58948835) is 4-ethyl-6-[5-(1,3-thiazol-4-yl)-1H-pyrazol-4-yl]benzene-1,3-diol.
What is the SMILES notation for 4-ethyl-6-[5-(1,3-thiazol-4-yl)-1H-pyrazol-4-yl]benzene-1,3-diol?
The canonical SMILES for 4-ethyl-6-[5-(1,3-thiazol-4-yl)-1H-pyrazol-4-yl]benzene-1,3-diol is CCc1cc(-c2cn[nH]c2-c2cscn2)c(O)cc1O.
What is the InChIKey of 4-ethyl-6-[5-(1,3-thiazol-4-yl)-1H-pyrazol-4-yl]benzene-1,3-diol?
The InChIKey is RSCDWROXFNXYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-2-8-3-9(13(19)4-12(8)18)10-5-16-17-14(10)11-6-20-7-15-11/h3-7,18-19H,2H2,1H3,(H,16,17).
What are the key properties of 4-ethyl-6-[5-(1,3-thiazol-4-yl)-1H-pyrazol-4-yl]benzene-1,3-diol?
4-ethyl-6-[5-(1,3-thiazol-4-yl)-1H-pyrazol-4-yl]benzene-1,3-diol has a molecular weight of 287.34 g/mol, XLogP of 3.17, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[5-(1,3-thiazol-4-yl)-1H-pyrazol-4-yl]benzene-1,3-diol is sourced from PubChem (CID 58948835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).