1-(3-fluoro-4-methoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone

C14H11FN2O2S — CID 115791915

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESCOc1ccc(C(=O)Cc2cn3ccsc3n2)cc1F
InChIInChI=1S/C14H11FN2O2S/c1-19-13-3-2-9(6-11(13)15)12(18)7-10-8-17-4-5-20-14(17)16-10/h2-6,8H,7H2,1H3
InChIKeyOKHYQQYYYHGJBU-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.97
Rot. Bonds4

About 1-(3-fluoro-4-methoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone

1-(3-fluoro-4-methoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (PubChem CID 115791915) has the molecular formula C14H11FN2O2S and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
PubChem CID115791915
Molecular FormulaC14H11FN2O2S
Molecular Weight290.32 g/mol
Exact Mass290.05
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESCOc1ccc(C(=O)Cc2cn3ccsc3n2)cc1F
InChIInChI=1S/C14H11FN2O2S/c1-19-13-3-2-9(6-11(13)15)12(18)7-10-8-17-4-5-20-14(17)16-10/h2-6,8H,7H2,1H3
InChIKeyOKHYQQYYYHGJBU-UHFFFAOYSA-N
XLogP2.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (CID 115791915) is 1-(3-fluoro-4-methoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is COc1ccc(C(=O)Cc2cn3ccsc3n2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The InChIKey is OKHYQQYYYHGJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2S/c1-19-13-3-2-9(6-11(13)15)12(18)7-10-8-17-4-5-20-14(17)16-10/h2-6,8H,7H2,1H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
1-(3-fluoro-4-methoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone has a molecular weight of 290.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is sourced from PubChem (CID 115791915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).