2-(1-methylindol-3-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole

C19H14N4S — CID 155550224

IUPAC2-(1-methylindol-3-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCn1cc(-c2nn3cc(-c4ccccc4)nc3s2)c2ccccc21
InChIInChI=1S/C19H14N4S/c1-22-11-15(14-9-5-6-10-17(14)22)18-21-23-12-16(20-19(23)24-18)13-7-3-2-4-8-13/h2-12H,1H3
InChIKeyWNPNZYISWPQQJB-UHFFFAOYSA-N
MW330.42 g/mol
LogP4.62
Rot. Bonds2

About 2-(1-methylindol-3-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole

2-(1-methylindol-3-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 155550224) has the molecular formula C19H14N4S and a molecular weight of 330.42 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
PubChem CID155550224
Molecular FormulaC19H14N4S
Molecular Weight330.42 g/mol
Exact Mass330.09
IUPAC Name2-(1-methylindol-3-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
SMILESCn1cc(-c2nn3cc(-c4ccccc4)nc3s2)c2ccccc21
InChIInChI=1S/C19H14N4S/c1-22-11-15(14-9-5-6-10-17(14)22)18-21-23-12-16(20-19(23)24-18)13-7-3-2-4-8-13/h2-12H,1H3
InChIKeyWNPNZYISWPQQJB-UHFFFAOYSA-N
XLogP4.62
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-6-methyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)thiazolo[3,2-b][1,2,4]triazole
CID 11516392
2,6-Diphenylimidazo[2,1-b][1,3,4]thiadiazole
CID 867602
2-[(1-Methyl-4-phenyl-imidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 44549080
2-Methyl-4-[3-(2-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]quinoline
CID 16416765
1-[(6-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl]-1H-benzimidazole
CID 848757
3-(Benzimidazol-1-ylmethyl)-6-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 1234059
2-Methyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 2999713
2-Methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
CID 3000039
1-methyl-6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1Hbenzoimidazole
CID 10064294
2-Pentyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
CID 15653274
6-(Pyrazin-2-yl)-3-(quinolin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 17600651
6-[6-(1-Methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-ylmethyl]-quinoline
CID 25144777

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-(1-methylindol-3-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole (CID 155550224) is 2-(1-methylindol-3-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-(1-methylindol-3-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-(1-methylindol-3-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole is Cn1cc(-c2nn3cc(-c4ccccc4)nc3s2)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is WNPNZYISWPQQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4S/c1-22-11-15(14-9-5-6-10-17(14)22)18-21-23-12-16(20-19(23)24-18)13-7-3-2-4-8-13/h2-12H,1H3.
What are the key properties of 2-(1-methylindol-3-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole?
2-(1-methylindol-3-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 330.42 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 155550224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).