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

C16H13FN2S2 — CID 22473647

IUPAC2-cyclopropyl-3-(6-fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESFc1ccc2cc(C3=C(C4CC4)SC4=NCCN43)sc2c1
InChIInChI=1S/C16H13FN2S2/c17-11-4-3-10-7-13(20-12(10)8-11)14-15(9-1-2-9)21-16-18-5-6-19(14)16/h3-4,7-9H,1-2,5-6H2
InChIKeyYKDQMWDINYBBKM-UHFFFAOYSA-N
MW316.43 g/mol
LogP4.54
Rot. Bonds2

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

2-cyclopropyl-3-(6-fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 22473647) has the molecular formula C16H13FN2S2 and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-cyclopropyl-3-(6-fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name2-cyclopropyl-3-(6-fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID22473647
Molecular FormulaC16H13FN2S2
Molecular Weight316.43 g/mol
Exact Mass316.05
IUPAC Name2-cyclopropyl-3-(6-fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESFc1ccc2cc(C3=C(C4CC4)SC4=NCCN43)sc2c1
InChIInChI=1S/C16H13FN2S2/c17-11-4-3-10-7-13(20-12(10)8-11)14-15(9-1-2-9)21-16-18-5-6-19(14)16/h3-4,7-9H,1-2,5-6H2
InChIKeyYKDQMWDINYBBKM-UHFFFAOYSA-N
XLogP4.54
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(6-fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 2-cyclopropyl-3-(6-fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 22473647) is 2-cyclopropyl-3-(6-fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 2-cyclopropyl-3-(6-fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 2-cyclopropyl-3-(6-fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is Fc1ccc2cc(C3=C(C4CC4)SC4=NCCN43)sc2c1.
What is the InChIKey of 2-cyclopropyl-3-(6-fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is YKDQMWDINYBBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2S2/c17-11-4-3-10-7-13(20-12(10)8-11)14-15(9-1-2-9)21-16-18-5-6-19(14)16/h3-4,7-9H,1-2,5-6H2.
What are the key properties of 2-cyclopropyl-3-(6-fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
2-cyclopropyl-3-(6-fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 316.43 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(6-fluoro-1-benzothiophen-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 22473647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).