6-[(E)-2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2,3-dihydrochromen-4-one

Name: 6-[(E)-2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2,3-dihydrochromen-4-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₁₂FNO₂S — CID 19019505

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC6-[(E)-2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2,3-dihydrochromen-4-one

SMILESO=C1CCOc2ccc(/C=C/c3nc4cc(F)ccc4s3)cc21

InChIInChI=1S/C18H12FNO2S/c19-12-3-5-17-14(10-12)20-18(23-17)6-2-11-1-4-16-13(9-11)15(21)7-8-22-16/h1-6,9-10H,7-8H2/b6-2+

InChIKeyORMWRPWLEPHMIZ-QHHAFSJGSA-N

MW325.36 g/mol

LogP4.57

Rot. Bonds2

About 6-[(E)-2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2,3-dihydrochromen-4-one

6-[(E)-2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2,3-dihydrochromen-4-one (PubChem CID 19019505) has the molecular formula C₁₈H₁₂FNO₂S and a molecular weight of 325.36 g/mol. Its IUPAC name is 6-[(E)-2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name	6-[(E)-2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2,3-dihydrochromen-4-one
PubChem CID	19019505
Molecular Formula	C₁₈H₁₂FNO₂S
Molecular Weight	325.36 g/mol
Exact Mass	325.06
IUPAC Name	6-[(E)-2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2,3-dihydrochromen-4-one
SMILES	O=C1CCOc2ccc(/C=C/c3nc4cc(F)ccc4s3)cc21
InChI	InChI=1S/C18H12FNO2S/c19-12-3-5-17-14(10-12)20-18(23-17)6-2-11-1-4-16-13(9-11)15(21)7-8-22-16/h1-6,9-10H,7-8H2/b6-2+
InChIKey	ORMWRPWLEPHMIZ-QHHAFSJGSA-N
XLogP	4.57
TPSA	39.19 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	2
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.36
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2,3-dihydrochromen-4-one?

The IUPAC name of 6-[(E)-2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2,3-dihydrochromen-4-one (CID 19019505) is 6-[(E)-2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2,3-dihydrochromen-4-one.

What is the SMILES notation for 6-[(E)-2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2,3-dihydrochromen-4-one?

The canonical SMILES for 6-[(E)-2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2,3-dihydrochromen-4-one is O=C1CCOc2ccc(/C=C/c3nc4cc(F)ccc4s3)cc21.

What is the InChIKey of 6-[(E)-2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2,3-dihydrochromen-4-one?

The InChIKey is ORMWRPWLEPHMIZ-QHHAFSJGSA-N. The full InChI is InChI=1S/C18H12FNO2S/c19-12-3-5-17-14(10-12)20-18(23-17)6-2-11-1-4-16-13(9-11)15(21)7-8-22-16/h1-6,9-10H,7-8H2/b6-2+.

What are the key properties of 6-[(E)-2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2,3-dihydrochromen-4-one?

6-[(E)-2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2,3-dihydrochromen-4-one has a molecular weight of 325.36 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(E)-2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 19019505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 19019505 — identifiers, structure, computed properties (public domain)

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