2-cyclopropyl-3-(7-fluoro-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole

C16H13FN2OS — CID 142130978

IUPAC2-cyclopropyl-3-(7-fluoro-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESFc1ccc(C2=C(C3CC3)SC3=NCCN32)c2ccoc12
InChIInChI=1S/C16H13FN2OS/c17-12-4-3-10(11-5-8-20-14(11)12)13-15(9-1-2-9)21-16-18-6-7-19(13)16/h3-5,8-9H,1-2,6-7H2
InChIKeyYABVNSCQPBXWJQ-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.07
Rot. Bonds2

About 2-cyclopropyl-3-(7-fluoro-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole

2-cyclopropyl-3-(7-fluoro-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 142130978) has the molecular formula C16H13FN2OS and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-cyclopropyl-3-(7-fluoro-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name2-cyclopropyl-3-(7-fluoro-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID142130978
Molecular FormulaC16H13FN2OS
Molecular Weight300.36 g/mol
Exact Mass300.07
IUPAC Name2-cyclopropyl-3-(7-fluoro-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESFc1ccc(C2=C(C3CC3)SC3=NCCN32)c2ccoc12
InChIInChI=1S/C16H13FN2OS/c17-12-4-3-10(11-5-8-20-14(11)12)13-15(9-1-2-9)21-16-18-6-7-19(13)16/h3-5,8-9H,1-2,6-7H2
InChIKeyYABVNSCQPBXWJQ-UHFFFAOYSA-N
XLogP4.07
TPSA28.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(7-fluoro-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 2-cyclopropyl-3-(7-fluoro-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 142130978) is 2-cyclopropyl-3-(7-fluoro-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 2-cyclopropyl-3-(7-fluoro-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 2-cyclopropyl-3-(7-fluoro-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is Fc1ccc(C2=C(C3CC3)SC3=NCCN32)c2ccoc12.
What is the InChIKey of 2-cyclopropyl-3-(7-fluoro-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is YABVNSCQPBXWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS/c17-12-4-3-10(11-5-8-20-14(11)12)13-15(9-1-2-9)21-16-18-6-7-19(13)16/h3-5,8-9H,1-2,6-7H2.
What are the key properties of 2-cyclopropyl-3-(7-fluoro-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
2-cyclopropyl-3-(7-fluoro-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 300.36 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(7-fluoro-1-benzofuran-4-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 142130978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).