2-(5-fluoro-1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole

C16H10FN5S2 — CID 171716193

IUPAC2-(5-fluoro-1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCn1cc(-c2nn3cc(-c4nccs4)nc3s2)c2cc(F)ccc21
InChIInChI=1S/C16H10FN5S2/c1-21-7-11(10-6-9(17)2-3-13(10)21)14-20-22-8-12(19-16(22)24-14)15-18-4-5-23-15/h2-8H,1H3
InChIKeyAFKJXZMGBMVMNP-UHFFFAOYSA-N
MW355.42 g/mol
LogP4.21
Rot. Bonds2

About 2-(5-fluoro-1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole

2-(5-fluoro-1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 171716193) has the molecular formula C16H10FN5S2 and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-(5-fluoro-1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-(5-fluoro-1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID171716193
Molecular FormulaC16H10FN5S2
Molecular Weight355.42 g/mol
Exact Mass355.04
IUPAC Name2-(5-fluoro-1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCn1cc(-c2nn3cc(-c4nccs4)nc3s2)c2cc(F)ccc21
InChIInChI=1S/C16H10FN5S2/c1-21-7-11(10-6-9(17)2-3-13(10)21)14-20-22-8-12(19-16(22)24-14)15-18-4-5-23-15/h2-8H,1H3
InChIKeyAFKJXZMGBMVMNP-UHFFFAOYSA-N
XLogP4.21
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-(5-fluoro-1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole (CID 171716193) is 2-(5-fluoro-1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-(5-fluoro-1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-(5-fluoro-1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole is Cn1cc(-c2nn3cc(-c4nccs4)nc3s2)c2cc(F)ccc21.
What is the InChIKey of 2-(5-fluoro-1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is AFKJXZMGBMVMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN5S2/c1-21-7-11(10-6-9(17)2-3-13(10)21)14-20-22-8-12(19-16(22)24-14)15-18-4-5-23-15/h2-8H,1H3.
What are the key properties of 2-(5-fluoro-1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
2-(5-fluoro-1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 355.42 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 171716193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).