4-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazol-5-yl]benzene-1,3-diol

C13H11N3O2S — CID 692007

IUPAC4-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazol-5-yl]benzene-1,3-diol
SMILESCc1nc(-c2cn[nH]c2-c2ccc(O)cc2O)cs1
InChIInChI=1S/C13H11N3O2S/c1-7-15-11(6-19-7)10-5-14-16-13(10)9-3-2-8(17)4-12(9)18/h2-6,17-18H,1H3,(H,14,16)
InChIKeyAALHTVFNLNVHJX-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.92
Rot. Bonds2

About 4-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazol-5-yl]benzene-1,3-diol

4-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazol-5-yl]benzene-1,3-diol (PubChem CID 692007) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 4-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazol-5-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazol-5-yl]benzene-1,3-diol
PubChem CID692007
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name4-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazol-5-yl]benzene-1,3-diol
SMILESCc1nc(-c2cn[nH]c2-c2ccc(O)cc2O)cs1
InChIInChI=1S/C13H11N3O2S/c1-7-15-11(6-19-7)10-5-14-16-13(10)9-3-2-8(17)4-12(9)18/h2-6,17-18H,1H3,(H,14,16)
InChIKeyAALHTVFNLNVHJX-UHFFFAOYSA-N
XLogP2.92
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazol-5-yl]benzene-1,3-diol?
The IUPAC name of 4-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazol-5-yl]benzene-1,3-diol (CID 692007) is 4-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazol-5-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazol-5-yl]benzene-1,3-diol?
The canonical SMILES for 4-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazol-5-yl]benzene-1,3-diol is Cc1nc(-c2cn[nH]c2-c2ccc(O)cc2O)cs1.
What is the InChIKey of 4-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazol-5-yl]benzene-1,3-diol?
The InChIKey is AALHTVFNLNVHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-7-15-11(6-19-7)10-5-14-16-13(10)9-3-2-8(17)4-12(9)18/h2-6,17-18H,1H3,(H,14,16).
What are the key properties of 4-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazol-5-yl]benzene-1,3-diol?
4-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazol-5-yl]benzene-1,3-diol has a molecular weight of 273.32 g/mol, XLogP of 2.92, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrazol-5-yl]benzene-1,3-diol is sourced from PubChem (CID 692007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).