N-(2,3-dihydro-1-benzofuran-5-yl)-4-imidazo[2,1-b][1,3]thiazol-5-yl-1,3-thiazol-2-amine

C16H12N4OS2 — CID 58496168

IUPACN-(2,3-dihydro-1-benzofuran-5-yl)-4-imidazo[2,1-b][1,3]thiazol-5-yl-1,3-thiazol-2-amine
SMILESc1cn2c(-c3csc(Nc4ccc5c(c4)CCO5)n3)cnc2s1
InChIInChI=1S/C16H12N4OS2/c1-2-14-10(3-5-21-14)7-11(1)18-15-19-12(9-23-15)13-8-17-16-20(13)4-6-22-16/h1-2,4,6-9H,3,5H2,(H,18,19)
InChIKeyWGDWAYDJVMXIDP-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.20
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-5-yl)-4-imidazo[2,1-b][1,3]thiazol-5-yl-1,3-thiazol-2-amine

N-(2,3-dihydro-1-benzofuran-5-yl)-4-imidazo[2,1-b][1,3]thiazol-5-yl-1,3-thiazol-2-amine (PubChem CID 58496168) has the molecular formula C16H12N4OS2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-yl)-4-imidazo[2,1-b][1,3]thiazol-5-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-yl)-4-imidazo[2,1-b][1,3]thiazol-5-yl-1,3-thiazol-2-amine
PubChem CID58496168
Molecular FormulaC16H12N4OS2
Molecular Weight340.43 g/mol
Exact Mass340.05
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-yl)-4-imidazo[2,1-b][1,3]thiazol-5-yl-1,3-thiazol-2-amine
SMILESc1cn2c(-c3csc(Nc4ccc5c(c4)CCO5)n3)cnc2s1
InChIInChI=1S/C16H12N4OS2/c1-2-14-10(3-5-21-14)7-11(1)18-15-19-12(9-23-15)13-8-17-16-20(13)4-6-22-16/h1-2,4,6-9H,3,5H2,(H,18,19)
InChIKeyWGDWAYDJVMXIDP-UHFFFAOYSA-N
XLogP4.20
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-4-imidazo[2,1-b][1,3]thiazol-5-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-4-imidazo[2,1-b][1,3]thiazol-5-yl-1,3-thiazol-2-amine (CID 58496168) is N-(2,3-dihydro-1-benzofuran-5-yl)-4-imidazo[2,1-b][1,3]thiazol-5-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-yl)-4-imidazo[2,1-b][1,3]thiazol-5-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-yl)-4-imidazo[2,1-b][1,3]thiazol-5-yl-1,3-thiazol-2-amine is c1cn2c(-c3csc(Nc4ccc5c(c4)CCO5)n3)cnc2s1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-yl)-4-imidazo[2,1-b][1,3]thiazol-5-yl-1,3-thiazol-2-amine?
The InChIKey is WGDWAYDJVMXIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS2/c1-2-14-10(3-5-21-14)7-11(1)18-15-19-12(9-23-15)13-8-17-16-20(13)4-6-22-16/h1-2,4,6-9H,3,5H2,(H,18,19).
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-yl)-4-imidazo[2,1-b][1,3]thiazol-5-yl-1,3-thiazol-2-amine?
N-(2,3-dihydro-1-benzofuran-5-yl)-4-imidazo[2,1-b][1,3]thiazol-5-yl-1,3-thiazol-2-amine has a molecular weight of 340.43 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-yl)-4-imidazo[2,1-b][1,3]thiazol-5-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 58496168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).