1-(6-fluoro-1H-indol-3-yl)-3-[2-(furan-2-yl)-1,3-thiazol-4-yl]prop-2-en-1-one

C18H11FN2O2S — CID 76879041

IUPAC1-(6-fluoro-1H-indol-3-yl)-3-[2-(furan-2-yl)-1,3-thiazol-4-yl]prop-2-en-1-one
SMILESO=C(C=Cc1csc(-c2ccco2)n1)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C18H11FN2O2S/c19-11-3-5-13-14(9-20-15(13)8-11)16(22)6-4-12-10-24-18(21-12)17-2-1-7-23-17/h1-10,20H
InChIKeyFJASJKHMEWUVAU-UHFFFAOYSA-N
MW338.36 g/mol
LogP4.92
Rot. Bonds4

About 1-(6-fluoro-1H-indol-3-yl)-3-[2-(furan-2-yl)-1,3-thiazol-4-yl]prop-2-en-1-one

1-(6-fluoro-1H-indol-3-yl)-3-[2-(furan-2-yl)-1,3-thiazol-4-yl]prop-2-en-1-one (PubChem CID 76879041) has the molecular formula C18H11FN2O2S and a molecular weight of 338.36 g/mol. Its IUPAC name is 1-(6-fluoro-1H-indol-3-yl)-3-[2-(furan-2-yl)-1,3-thiazol-4-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-(6-fluoro-1H-indol-3-yl)-3-[2-(furan-2-yl)-1,3-thiazol-4-yl]prop-2-en-1-one
PubChem CID76879041
Molecular FormulaC18H11FN2O2S
Molecular Weight338.36 g/mol
Exact Mass338.05
IUPAC Name1-(6-fluoro-1H-indol-3-yl)-3-[2-(furan-2-yl)-1,3-thiazol-4-yl]prop-2-en-1-one
SMILESO=C(C=Cc1csc(-c2ccco2)n1)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C18H11FN2O2S/c19-11-3-5-13-14(9-20-15(13)8-11)16(22)6-4-12-10-24-18(21-12)17-2-1-7-23-17/h1-10,20H
InChIKeyFJASJKHMEWUVAU-UHFFFAOYSA-N
XLogP4.92
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1H-indol-3-yl)-3-[2-(furan-2-yl)-1,3-thiazol-4-yl]prop-2-en-1-one?
The IUPAC name of 1-(6-fluoro-1H-indol-3-yl)-3-[2-(furan-2-yl)-1,3-thiazol-4-yl]prop-2-en-1-one (CID 76879041) is 1-(6-fluoro-1H-indol-3-yl)-3-[2-(furan-2-yl)-1,3-thiazol-4-yl]prop-2-en-1-one.
What is the SMILES notation for 1-(6-fluoro-1H-indol-3-yl)-3-[2-(furan-2-yl)-1,3-thiazol-4-yl]prop-2-en-1-one?
The canonical SMILES for 1-(6-fluoro-1H-indol-3-yl)-3-[2-(furan-2-yl)-1,3-thiazol-4-yl]prop-2-en-1-one is O=C(C=Cc1csc(-c2ccco2)n1)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of 1-(6-fluoro-1H-indol-3-yl)-3-[2-(furan-2-yl)-1,3-thiazol-4-yl]prop-2-en-1-one?
The InChIKey is FJASJKHMEWUVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2O2S/c19-11-3-5-13-14(9-20-15(13)8-11)16(22)6-4-12-10-24-18(21-12)17-2-1-7-23-17/h1-10,20H.
What are the key properties of 1-(6-fluoro-1H-indol-3-yl)-3-[2-(furan-2-yl)-1,3-thiazol-4-yl]prop-2-en-1-one?
1-(6-fluoro-1H-indol-3-yl)-3-[2-(furan-2-yl)-1,3-thiazol-4-yl]prop-2-en-1-one has a molecular weight of 338.36 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1H-indol-3-yl)-3-[2-(furan-2-yl)-1,3-thiazol-4-yl]prop-2-en-1-one is sourced from PubChem (CID 76879041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).