3-(4-fluoro-1-benzothiophen-2-yl)-2-(methoxymethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole

C15H13FN2OS2 — CID 22473674

IUPAC3-(4-fluoro-1-benzothiophen-2-yl)-2-(methoxymethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCOCC1=C(c2cc3c(F)cccc3s2)N2CCN=C2S1
InChIInChI=1S/C15H13FN2OS2/c1-19-8-13-14(18-6-5-17-15(18)21-13)12-7-9-10(16)3-2-4-11(9)20-12/h2-4,7H,5-6,8H2,1H3
InChIKeyHCLAQFVHWQVPDM-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.77
Rot. Bonds3

About 3-(4-fluoro-1-benzothiophen-2-yl)-2-(methoxymethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole

3-(4-fluoro-1-benzothiophen-2-yl)-2-(methoxymethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 22473674) has the molecular formula C15H13FN2OS2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 3-(4-fluoro-1-benzothiophen-2-yl)-2-(methoxymethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-(4-fluoro-1-benzothiophen-2-yl)-2-(methoxymethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID22473674
Molecular FormulaC15H13FN2OS2
Molecular Weight320.41 g/mol
Exact Mass320.05
IUPAC Name3-(4-fluoro-1-benzothiophen-2-yl)-2-(methoxymethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCOCC1=C(c2cc3c(F)cccc3s2)N2CCN=C2S1
InChIInChI=1S/C15H13FN2OS2/c1-19-8-13-14(18-6-5-17-15(18)21-13)12-7-9-10(16)3-2-4-11(9)20-12/h2-4,7H,5-6,8H2,1H3
InChIKeyHCLAQFVHWQVPDM-UHFFFAOYSA-N
XLogP3.77
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1-benzothiophen-2-yl)-2-(methoxymethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-(4-fluoro-1-benzothiophen-2-yl)-2-(methoxymethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 22473674) is 3-(4-fluoro-1-benzothiophen-2-yl)-2-(methoxymethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-(4-fluoro-1-benzothiophen-2-yl)-2-(methoxymethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-(4-fluoro-1-benzothiophen-2-yl)-2-(methoxymethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is COCC1=C(c2cc3c(F)cccc3s2)N2CCN=C2S1.
What is the InChIKey of 3-(4-fluoro-1-benzothiophen-2-yl)-2-(methoxymethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is HCLAQFVHWQVPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2OS2/c1-19-8-13-14(18-6-5-17-15(18)21-13)12-7-9-10(16)3-2-4-11(9)20-12/h2-4,7H,5-6,8H2,1H3.
What are the key properties of 3-(4-fluoro-1-benzothiophen-2-yl)-2-(methoxymethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
3-(4-fluoro-1-benzothiophen-2-yl)-2-(methoxymethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 320.41 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-1-benzothiophen-2-yl)-2-(methoxymethyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 22473674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).