3-(6-fluoro-4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol

C16H10FNOS — CID 116531423

IUPAC3-(6-fluoro-4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol
SMILESOc1cccc(-c2nc3c(s2)Cc2cc(F)ccc2-3)c1
InChIInChI=1S/C16H10FNOS/c17-11-4-5-13-10(6-11)8-14-15(13)18-16(20-14)9-2-1-3-12(19)7-9/h1-7,19H,8H2
InChIKeyYGMDQXITIDDDNZ-UHFFFAOYSA-N
MW283.33 g/mol
LogP4.23
Rot. Bonds1

About 3-(6-fluoro-4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol

3-(6-fluoro-4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol (PubChem CID 116531423) has the molecular formula C16H10FNOS and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-(6-fluoro-4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol.

Molecular Properties

Compound Name3-(6-fluoro-4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol
PubChem CID116531423
Molecular FormulaC16H10FNOS
Molecular Weight283.33 g/mol
Exact Mass283.05
IUPAC Name3-(6-fluoro-4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol
SMILESOc1cccc(-c2nc3c(s2)Cc2cc(F)ccc2-3)c1
InChIInChI=1S/C16H10FNOS/c17-11-4-5-13-10(6-11)8-14-15(13)18-16(20-14)9-2-1-3-12(19)7-9/h1-7,19H,8H2
InChIKeyYGMDQXITIDDDNZ-UHFFFAOYSA-N
XLogP4.23
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol?
The IUPAC name of 3-(6-fluoro-4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol (CID 116531423) is 3-(6-fluoro-4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol.
What is the SMILES notation for 3-(6-fluoro-4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol?
The canonical SMILES for 3-(6-fluoro-4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol is Oc1cccc(-c2nc3c(s2)Cc2cc(F)ccc2-3)c1.
What is the InChIKey of 3-(6-fluoro-4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol?
The InChIKey is YGMDQXITIDDDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNOS/c17-11-4-5-13-10(6-11)8-14-15(13)18-16(20-14)9-2-1-3-12(19)7-9/h1-7,19H,8H2.
What are the key properties of 3-(6-fluoro-4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol?
3-(6-fluoro-4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol has a molecular weight of 283.33 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-4H-indeno[1,2-d][1,3]thiazol-2-yl)phenol is sourced from PubChem (CID 116531423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).