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

C17H13N5OS2 — CID 171716225

IUPAC2-(5-methoxy-1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1ccc2c(c1)c(-c1nn3cc(-c4nccs4)nc3s1)cn2C
InChIInChI=1S/C17H13N5OS2/c1-21-8-12(11-7-10(23-2)3-4-14(11)21)15-20-22-9-13(19-17(22)25-15)16-18-5-6-24-16/h3-9H,1-2H3
InChIKeyWNEJDHWFOFVQLC-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.08
Rot. Bonds3

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

2-(5-methoxy-1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 171716225) has the molecular formula C17H13N5OS2 and a molecular weight of 367.46 g/mol. Its IUPAC name is 2-(5-methoxy-1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-(5-methoxy-1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID171716225
Molecular FormulaC17H13N5OS2
Molecular Weight367.46 g/mol
Exact Mass367.06
IUPAC Name2-(5-methoxy-1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1ccc2c(c1)c(-c1nn3cc(-c4nccs4)nc3s1)cn2C
InChIInChI=1S/C17H13N5OS2/c1-21-8-12(11-7-10(23-2)3-4-14(11)21)15-20-22-9-13(19-17(22)25-15)16-18-5-6-24-16/h3-9H,1-2H3
InChIKeyWNEJDHWFOFVQLC-UHFFFAOYSA-N
XLogP4.08
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-(5-methoxy-1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole (CID 171716225) is 2-(5-methoxy-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-methoxy-1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-(5-methoxy-1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole is COc1ccc2c(c1)c(-c1nn3cc(-c4nccs4)nc3s1)cn2C.
What is the InChIKey of 2-(5-methoxy-1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is WNEJDHWFOFVQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS2/c1-21-8-12(11-7-10(23-2)3-4-14(11)21)15-20-22-9-13(19-17(22)25-15)16-18-5-6-24-16/h3-9H,1-2H3.
What are the key properties of 2-(5-methoxy-1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole?
2-(5-methoxy-1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 367.46 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1-methylindol-3-yl)-6-(1,3-thiazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 171716225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).