6-(4-methoxyphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile

C13H9N3OS2 — CID 1480432

IUPAC6-(4-methoxyphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile
SMILESCOc1ccc(Sc2nc3sccn3c2C#N)cc1
InChIInChI=1S/C13H9N3OS2/c1-17-9-2-4-10(5-3-9)19-12-11(8-14)16-6-7-18-13(16)15-12/h2-7H,1H3
InChIKeyJIAUUMODYZVDDL-UHFFFAOYSA-N
MW287.37 g/mol
LogP3.43
Rot. Bonds3

About 6-(4-methoxyphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile

6-(4-methoxyphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile (PubChem CID 1480432) has the molecular formula C13H9N3OS2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile.

Molecular Properties

Compound Name6-(4-methoxyphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile
PubChem CID1480432
Molecular FormulaC13H9N3OS2
Molecular Weight287.37 g/mol
Exact Mass287.02
IUPAC Name6-(4-methoxyphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile
SMILESCOc1ccc(Sc2nc3sccn3c2C#N)cc1
InChIInChI=1S/C13H9N3OS2/c1-17-9-2-4-10(5-3-9)19-12-11(8-14)16-6-7-18-13(16)15-12/h2-7H,1H3
InChIKeyJIAUUMODYZVDDL-UHFFFAOYSA-N
XLogP3.43
TPSA50.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(4-chlorophenyl)methylsulfanyl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile
CID 1482356
6-sulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile
CID 82363770
3-(4-methoxyphenyl)sulfanylpyrazine-2-carbonitrile
CID 1471715
2-[5-(2,2-dicyanoethenyl)imidazo[2,1-b][1,3]thiazol-6-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 40517023
[6-(4-tert-butylphenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 63807450
6-(4-propan-2-ylphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 63802355
N-methyl-1-[6-(4-nitrophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 63808703
2-[6-(4-chlorophenyl)sulfanylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 55238545
3-amino-2-(4-methoxyphenyl)sulfanylpyridine-4-carbonitrile
CID 82812797
4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenol
CID 54911188
5-(bromomethyl)-6-(4-methoxyphenoxy)imidazo[2,1-b][1,3]thiazole
CID 107087238
N-[4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)sulfanylphenyl]acetamide
CID 18095387

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile?
The IUPAC name of 6-(4-methoxyphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile (CID 1480432) is 6-(4-methoxyphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile.
What is the SMILES notation for 6-(4-methoxyphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile?
The canonical SMILES for 6-(4-methoxyphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile is COc1ccc(Sc2nc3sccn3c2C#N)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile?
The InChIKey is JIAUUMODYZVDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3OS2/c1-17-9-2-4-10(5-3-9)19-12-11(8-14)16-6-7-18-13(16)15-12/h2-7H,1H3.
What are the key properties of 6-(4-methoxyphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile?
6-(4-methoxyphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile has a molecular weight of 287.37 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)sulfanylimidazo[2,1-b][1,3]thiazole-5-carbonitrile is sourced from PubChem (CID 1480432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).