3-(3-fluoro-4-methoxyphenyl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole

C13H13FN2OS — CID 46738432

IUPAC3-(3-fluoro-4-methoxyphenyl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCOc1ccc(C2=C(C)SC3=NCCN32)cc1F
InChIInChI=1S/C13H13FN2OS/c1-8-12(16-6-5-15-13(16)18-8)9-3-4-11(17-2)10(14)7-9/h3-4,7H,5-6H2,1-2H3
InChIKeyNJPDJUOKRIUCQI-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.94
Rot. Bonds2

About 3-(3-fluoro-4-methoxyphenyl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole

3-(3-fluoro-4-methoxyphenyl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 46738432) has the molecular formula C13H13FN2OS and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID46738432
Molecular FormulaC13H13FN2OS
Molecular Weight264.32 g/mol
Exact Mass264.07
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESCOc1ccc(C2=C(C)SC3=NCCN32)cc1F
InChIInChI=1S/C13H13FN2OS/c1-8-12(16-6-5-15-13(16)18-8)9-3-4-11(17-2)10(14)7-9/h3-4,7H,5-6H2,1-2H3
InChIKeyNJPDJUOKRIUCQI-UHFFFAOYSA-N
XLogP2.94
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 46738432) is 3-(3-fluoro-4-methoxyphenyl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is COc1ccc(C2=C(C)SC3=NCCN32)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is NJPDJUOKRIUCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-8-12(16-6-5-15-13(16)18-8)9-3-4-11(17-2)10(14)7-9/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
3-(3-fluoro-4-methoxyphenyl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 264.32 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 46738432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).