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

C20H15ClN4OS — CID 155534946

IUPAC2-(5-chloro-1-methylindol-3-yl)-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1cccc(-c2cn3nc(-c4cn(C)c5ccc(Cl)cc45)sc3n2)c1
InChIInChI=1S/C20H15ClN4OS/c1-24-10-16(15-9-13(21)6-7-18(15)24)19-23-25-11-17(22-20(25)27-19)12-4-3-5-14(8-12)26-2/h3-11H,1-2H3
InChIKeyQKYIDIYWFXZCLQ-UHFFFAOYSA-N
MW394.89 g/mol
LogP5.28
Rot. Bonds3

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

2-(5-chloro-1-methylindol-3-yl)-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 155534946) has the molecular formula C20H15ClN4OS and a molecular weight of 394.89 g/mol. Its IUPAC name is 2-(5-chloro-1-methylindol-3-yl)-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-(5-chloro-1-methylindol-3-yl)-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID155534946
Molecular FormulaC20H15ClN4OS
Molecular Weight394.89 g/mol
Exact Mass394.07
IUPAC Name2-(5-chloro-1-methylindol-3-yl)-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1cccc(-c2cn3nc(-c4cn(C)c5ccc(Cl)cc45)sc3n2)c1
InChIInChI=1S/C20H15ClN4OS/c1-24-10-16(15-9-13(21)6-7-18(15)24)19-23-25-11-17(22-20(25)27-19)12-4-3-5-14(8-12)26-2/h3-11H,1-2H3
InChIKeyQKYIDIYWFXZCLQ-UHFFFAOYSA-N
XLogP5.28
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.89
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-bromo-1-methylindol-3-yl)-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 155535813
2-(5-methoxy-1-methylindol-3-yl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 171716242
2-bromo-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 43159277
2-ethyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 16644191
3-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-1-amine
CID 28750683
2-(5-bromo-1-methylindol-3-yl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole
CID 155814082
2-butyl-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 9122841
2-bromo-6-(3-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 43159278
2-[2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]ethanamine
CID 28808717
2-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxylic acid
CID 98018913
2-(5-methoxy-1-methylindol-3-yl)-4-naphthalen-2-yl-1,3-thiazole
CID 155807224
6-[4-fluoro-3-[[3-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)phenoxy]methyl]phenyl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
CID 138581301

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-methylindol-3-yl)-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-(5-chloro-1-methylindol-3-yl)-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole (CID 155534946) is 2-(5-chloro-1-methylindol-3-yl)-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-(5-chloro-1-methylindol-3-yl)-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-(5-chloro-1-methylindol-3-yl)-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole is COc1cccc(-c2cn3nc(-c4cn(C)c5ccc(Cl)cc45)sc3n2)c1.
What is the InChIKey of 2-(5-chloro-1-methylindol-3-yl)-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is QKYIDIYWFXZCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4OS/c1-24-10-16(15-9-13(21)6-7-18(15)24)19-23-25-11-17(22-20(25)27-19)12-4-3-5-14(8-12)26-2/h3-11H,1-2H3.
What are the key properties of 2-(5-chloro-1-methylindol-3-yl)-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole?
2-(5-chloro-1-methylindol-3-yl)-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 394.89 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-methylindol-3-yl)-6-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 155534946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).