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

C16H15FN2S2 — CID 22473625

IUPAC3-(7-fluoro-1-benzothiophen-5-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCC(C)C1=C(c2cc(F)c3sccc3c2)N2CCN=C2S1
InChIInChI=1S/C16H15FN2S2/c1-9(2)14-13(19-5-4-18-16(19)21-14)11-7-10-3-6-20-15(10)12(17)8-11/h3,6-9H,4-5H2,1-2H3
InChIKeyVCXOKAUGMDWBMS-UHFFFAOYSA-N
MW318.44 g/mol
LogP4.78
Rot. Bonds2

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

3-(7-fluoro-1-benzothiophen-5-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 22473625) has the molecular formula C16H15FN2S2 and a molecular weight of 318.44 g/mol. Its IUPAC name is 3-(7-fluoro-1-benzothiophen-5-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-(7-fluoro-1-benzothiophen-5-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID22473625
Molecular FormulaC16H15FN2S2
Molecular Weight318.44 g/mol
Exact Mass318.07
IUPAC Name3-(7-fluoro-1-benzothiophen-5-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCC(C)C1=C(c2cc(F)c3sccc3c2)N2CCN=C2S1
InChIInChI=1S/C16H15FN2S2/c1-9(2)14-13(19-5-4-18-16(19)21-14)11-7-10-3-6-20-15(10)12(17)8-11/h3,6-9H,4-5H2,1-2H3
InChIKeyVCXOKAUGMDWBMS-UHFFFAOYSA-N
XLogP4.78
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-1-benzothiophen-5-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-(7-fluoro-1-benzothiophen-5-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 22473625) is 3-(7-fluoro-1-benzothiophen-5-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-(7-fluoro-1-benzothiophen-5-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-(7-fluoro-1-benzothiophen-5-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is CC(C)C1=C(c2cc(F)c3sccc3c2)N2CCN=C2S1.
What is the InChIKey of 3-(7-fluoro-1-benzothiophen-5-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is VCXOKAUGMDWBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2S2/c1-9(2)14-13(19-5-4-18-16(19)21-14)11-7-10-3-6-20-15(10)12(17)8-11/h3,6-9H,4-5H2,1-2H3.
What are the key properties of 3-(7-fluoro-1-benzothiophen-5-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
3-(7-fluoro-1-benzothiophen-5-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 318.44 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-1-benzothiophen-5-yl)-2-propan-2-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 22473625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).