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

C17H12N2O2S — CID 740465

IUPAC4-[2-(1H-indol-3-yl)-1,3-thiazol-4-yl]benzene-1,3-diol
SMILESOc1ccc(-c2csc(-c3c[nH]c4ccccc34)n2)c(O)c1
InChIInChI=1S/C17H12N2O2S/c20-10-5-6-12(16(21)7-10)15-9-22-17(19-15)13-8-18-14-4-2-1-3-11(13)14/h1-9,18,20-21H
InChIKeyDKYTYUJTRQWVBQ-UHFFFAOYSA-N
MW308.36 g/mol
LogP4.37
Rot. Bonds2

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

4-[2-(1H-indol-3-yl)-1,3-thiazol-4-yl]benzene-1,3-diol (PubChem CID 740465) has the molecular formula C17H12N2O2S and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-[2-(1H-indol-3-yl)-1,3-thiazol-4-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[2-(1H-indol-3-yl)-1,3-thiazol-4-yl]benzene-1,3-diol
PubChem CID740465
Molecular FormulaC17H12N2O2S
Molecular Weight308.36 g/mol
Exact Mass308.06
IUPAC Name4-[2-(1H-indol-3-yl)-1,3-thiazol-4-yl]benzene-1,3-diol
SMILESOc1ccc(-c2csc(-c3c[nH]c4ccccc34)n2)c(O)c1
InChIInChI=1S/C17H12N2O2S/c20-10-5-6-12(16(21)7-10)15-9-22-17(19-15)13-8-18-14-4-2-1-3-11(13)14/h1-9,18,20-21H
InChIKeyDKYTYUJTRQWVBQ-UHFFFAOYSA-N
XLogP4.37
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indol-3-yl)-1,3-thiazol-4-yl]benzene-1,3-diol?
The IUPAC name of 4-[2-(1H-indol-3-yl)-1,3-thiazol-4-yl]benzene-1,3-diol (CID 740465) is 4-[2-(1H-indol-3-yl)-1,3-thiazol-4-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[2-(1H-indol-3-yl)-1,3-thiazol-4-yl]benzene-1,3-diol?
The canonical SMILES for 4-[2-(1H-indol-3-yl)-1,3-thiazol-4-yl]benzene-1,3-diol is Oc1ccc(-c2csc(-c3c[nH]c4ccccc34)n2)c(O)c1.
What is the InChIKey of 4-[2-(1H-indol-3-yl)-1,3-thiazol-4-yl]benzene-1,3-diol?
The InChIKey is DKYTYUJTRQWVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2S/c20-10-5-6-12(16(21)7-10)15-9-22-17(19-15)13-8-18-14-4-2-1-3-11(13)14/h1-9,18,20-21H.
What are the key properties of 4-[2-(1H-indol-3-yl)-1,3-thiazol-4-yl]benzene-1,3-diol?
4-[2-(1H-indol-3-yl)-1,3-thiazol-4-yl]benzene-1,3-diol has a molecular weight of 308.36 g/mol, XLogP of 4.37, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indol-3-yl)-1,3-thiazol-4-yl]benzene-1,3-diol is sourced from PubChem (CID 740465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).