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

Name: 6-[1-(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 19019514

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

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

SMILESC=C(c1ccc2c(c1)C(=O)CCO2)c1nc2cc(F)ccc2s1

InChIInChI=1S/C18H12FNO2S/c1-10(18-20-14-9-12(19)3-5-17(14)23-18)11-2-4-16-13(8-11)15(21)6-7-22-16/h2-5,8-9H,1,6-7H2

InChIKeyIXSCSQMWMFIRMV-UHFFFAOYSA-N

MW325.36 g/mol

LogP4.46

Rot. Bonds2

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

6-[1-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2,3-dihydrochromen-4-one (PubChem CID 19019514) has the molecular formula C₁₈H₁₂FNO₂S and a molecular weight of 325.36 g/mol. Its IUPAC name is 6-[1-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name	6-[1-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2,3-dihydrochromen-4-one
PubChem CID	19019514
Molecular Formula	C₁₈H₁₂FNO₂S
Molecular Weight	325.36 g/mol
Exact Mass	325.06
IUPAC Name	6-[1-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2,3-dihydrochromen-4-one
SMILES	C=C(c1ccc2c(c1)C(=O)CCO2)c1nc2cc(F)ccc2s1
InChI	InChI=1S/C18H12FNO2S/c1-10(18-20-14-9-12(19)3-5-17(14)23-18)11-2-4-16-13(8-11)15(21)6-7-22-16/h2-5,8-9H,1,6-7H2
InChIKey	IXSCSQMWMFIRMV-UHFFFAOYSA-N
XLogP	4.46
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	4.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 6-[1-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2,3-dihydrochromen-4-one (CID 19019514) is 6-[1-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2,3-dihydrochromen-4-one.

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

The canonical SMILES for 6-[1-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2,3-dihydrochromen-4-one is C=C(c1ccc2c(c1)C(=O)CCO2)c1nc2cc(F)ccc2s1.

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

The InChIKey is IXSCSQMWMFIRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FNO2S/c1-10(18-20-14-9-12(19)3-5-17(14)23-18)11-2-4-16-13(8-11)15(21)6-7-22-16/h2-5,8-9H,1,6-7H2.

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

6-[1-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2,3-dihydrochromen-4-one has a molecular weight of 325.36 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 19019514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 19019514 — identifiers, structure, computed properties (public domain)

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