3-(4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol

C16H11NOS — CID 28942277

IUPAC3-(4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol
SMILESOc1cccc(-c2nc3c(s2)Cc2ccccc2-3)c1
InChIInChI=1S/C16H11NOS/c18-12-6-3-5-11(8-12)16-17-15-13-7-2-1-4-10(13)9-14(15)19-16/h1-8,18H,9H2
InChIKeyTVGQJQDHFQBUJK-UHFFFAOYSA-N
MW265.34 g/mol
LogP4.09
Rot. Bonds1

About 3-(4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol

3-(4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol (PubChem CID 28942277) has the molecular formula C16H11NOS and a molecular weight of 265.34 g/mol. Its IUPAC name is 3-(4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol.

Molecular Properties

Compound Name3-(4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol
PubChem CID28942277
Molecular FormulaC16H11NOS
Molecular Weight265.34 g/mol
Exact Mass265.06
IUPAC Name3-(4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol
SMILESOc1cccc(-c2nc3c(s2)Cc2ccccc2-3)c1
InChIInChI=1S/C16H11NOS/c18-12-6-3-5-11(8-12)16-17-15-13-7-2-1-4-10(13)9-14(15)19-16/h1-8,18H,9H2
InChIKeyTVGQJQDHFQBUJK-UHFFFAOYSA-N
XLogP4.09
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol?
The IUPAC name of 3-(4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol (CID 28942277) is 3-(4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol.
What is the SMILES notation for 3-(4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol?
The canonical SMILES for 3-(4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol is Oc1cccc(-c2nc3c(s2)Cc2ccccc2-3)c1.
What is the InChIKey of 3-(4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol?
The InChIKey is TVGQJQDHFQBUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NOS/c18-12-6-3-5-11(8-12)16-17-15-13-7-2-1-4-10(13)9-14(15)19-16/h1-8,18H,9H2.
What are the key properties of 3-(4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol?
3-(4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol has a molecular weight of 265.34 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol is sourced from PubChem (CID 28942277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).