3-(5-fluoro-1-benzothiophen-7-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole

C14H11FN2S2 — CID 22474076

IUPAC3-(5-fluoro-1-benzothiophen-7-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCC1=C(c2cc(F)cc3ccsc23)N2CCN=C2S1
InChIInChI=1S/C14H11FN2S2/c1-8-12(17-4-3-16-14(17)19-8)11-7-10(15)6-9-2-5-18-13(9)11/h2,5-7H,3-4H2,1H3
InChIKeyQVQXNBOQHGCMMM-UHFFFAOYSA-N
MW290.39 g/mol
LogP4.15
Rot. Bonds1

About 3-(5-fluoro-1-benzothiophen-7-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole

3-(5-fluoro-1-benzothiophen-7-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 22474076) has the molecular formula C14H11FN2S2 and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-(5-fluoro-1-benzothiophen-7-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-(5-fluoro-1-benzothiophen-7-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID22474076
Molecular FormulaC14H11FN2S2
Molecular Weight290.39 g/mol
Exact Mass290.03
IUPAC Name3-(5-fluoro-1-benzothiophen-7-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCC1=C(c2cc(F)cc3ccsc23)N2CCN=C2S1
InChIInChI=1S/C14H11FN2S2/c1-8-12(17-4-3-16-14(17)19-8)11-7-10(15)6-9-2-5-18-13(9)11/h2,5-7H,3-4H2,1H3
InChIKeyQVQXNBOQHGCMMM-UHFFFAOYSA-N
XLogP4.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1-benzothiophen-7-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-(5-fluoro-1-benzothiophen-7-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 22474076) is 3-(5-fluoro-1-benzothiophen-7-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-(5-fluoro-1-benzothiophen-7-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-(5-fluoro-1-benzothiophen-7-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is CC1=C(c2cc(F)cc3ccsc23)N2CCN=C2S1.
What is the InChIKey of 3-(5-fluoro-1-benzothiophen-7-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is QVQXNBOQHGCMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2S2/c1-8-12(17-4-3-16-14(17)19-8)11-7-10(15)6-9-2-5-18-13(9)11/h2,5-7H,3-4H2,1H3.
What are the key properties of 3-(5-fluoro-1-benzothiophen-7-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
3-(5-fluoro-1-benzothiophen-7-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 290.39 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1-benzothiophen-7-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 22474076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).