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

C15H15N3O2S — CID 1399748

IUPAC5-methyl-2-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrazol-5-yl]benzene-1,3-diol
SMILESCc1cc(O)c(-c2c(-c3csc(C)n3)cnn2C)c(O)c1
InChIInChI=1S/C15H15N3O2S/c1-8-4-12(19)14(13(20)5-8)15-10(6-16-18(15)3)11-7-21-9(2)17-11/h4-7,19-20H,1-3H3
InChIKeyYAAMTIGIVKUWIB-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.24
Rot. Bonds2

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

5-methyl-2-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrazol-5-yl]benzene-1,3-diol (PubChem CID 1399748) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-methyl-2-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrazol-5-yl]benzene-1,3-diol.

Molecular Properties

Compound Name5-methyl-2-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrazol-5-yl]benzene-1,3-diol
PubChem CID1399748
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name5-methyl-2-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrazol-5-yl]benzene-1,3-diol
SMILESCc1cc(O)c(-c2c(-c3csc(C)n3)cnn2C)c(O)c1
InChIInChI=1S/C15H15N3O2S/c1-8-4-12(19)14(13(20)5-8)15-10(6-16-18(15)3)11-7-21-9(2)17-11/h4-7,19-20H,1-3H3
InChIKeyYAAMTIGIVKUWIB-UHFFFAOYSA-N
XLogP3.24
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrazol-5-yl]benzene-1,3-diol?
The IUPAC name of 5-methyl-2-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrazol-5-yl]benzene-1,3-diol (CID 1399748) is 5-methyl-2-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrazol-5-yl]benzene-1,3-diol.
What is the SMILES notation for 5-methyl-2-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrazol-5-yl]benzene-1,3-diol?
The canonical SMILES for 5-methyl-2-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrazol-5-yl]benzene-1,3-diol is Cc1cc(O)c(-c2c(-c3csc(C)n3)cnn2C)c(O)c1.
What is the InChIKey of 5-methyl-2-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrazol-5-yl]benzene-1,3-diol?
The InChIKey is YAAMTIGIVKUWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-8-4-12(19)14(13(20)5-8)15-10(6-16-18(15)3)11-7-21-9(2)17-11/h4-7,19-20H,1-3H3.
What are the key properties of 5-methyl-2-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrazol-5-yl]benzene-1,3-diol?
5-methyl-2-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrazol-5-yl]benzene-1,3-diol has a molecular weight of 301.37 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrazol-5-yl]benzene-1,3-diol is sourced from PubChem (CID 1399748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).