5-(2-methylsulfonylpyrimidin-4-yl)-6-(3-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole

C23H18N4O3S2 — CID 155804973

IUPAC5-(2-methylsulfonylpyrimidin-4-yl)-6-(3-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole
SMILESCS(=O)(=O)c1nccc(-c2c(-c3cccc(OCc4ccccc4)c3)nc3sccn23)n1
InChIInChI=1S/C23H18N4O3S2/c1-32(28,29)22-24-11-10-19(25-22)21-20(26-23-27(21)12-13-31-23)17-8-5-9-18(14-17)30-15-16-6-3-2-4-7-16/h2-14H,15H2,1H3
InChIKeyDQOWVAQFOQHAFL-UHFFFAOYSA-N
MW462.56 g/mol
LogP4.50
Rot. Bonds6

About 5-(2-methylsulfonylpyrimidin-4-yl)-6-(3-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole

5-(2-methylsulfonylpyrimidin-4-yl)-6-(3-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 155804973) has the molecular formula C23H18N4O3S2 and a molecular weight of 462.56 g/mol. Its IUPAC name is 5-(2-methylsulfonylpyrimidin-4-yl)-6-(3-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(2-methylsulfonylpyrimidin-4-yl)-6-(3-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole
PubChem CID155804973
Molecular FormulaC23H18N4O3S2
Molecular Weight462.56 g/mol
Exact Mass462.08
IUPAC Name5-(2-methylsulfonylpyrimidin-4-yl)-6-(3-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole
SMILESCS(=O)(=O)c1nccc(-c2c(-c3cccc(OCc4ccccc4)c3)nc3sccn23)n1
InChIInChI=1S/C23H18N4O3S2/c1-32(28,29)22-24-11-10-19(25-22)21-20(26-23-27(21)12-13-31-23)17-8-5-9-18(14-17)30-15-16-6-3-2-4-7-16/h2-14H,15H2,1H3
InChIKeyDQOWVAQFOQHAFL-UHFFFAOYSA-N
XLogP4.50
TPSA86.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.56
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfonylpyrimidin-4-yl)-6-(3-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(2-methylsulfonylpyrimidin-4-yl)-6-(3-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole (CID 155804973) is 5-(2-methylsulfonylpyrimidin-4-yl)-6-(3-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(2-methylsulfonylpyrimidin-4-yl)-6-(3-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(2-methylsulfonylpyrimidin-4-yl)-6-(3-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole is CS(=O)(=O)c1nccc(-c2c(-c3cccc(OCc4ccccc4)c3)nc3sccn23)n1.
What is the InChIKey of 5-(2-methylsulfonylpyrimidin-4-yl)-6-(3-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is DQOWVAQFOQHAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3S2/c1-32(28,29)22-24-11-10-19(25-22)21-20(26-23-27(21)12-13-31-23)17-8-5-9-18(14-17)30-15-16-6-3-2-4-7-16/h2-14H,15H2,1H3.
What are the key properties of 5-(2-methylsulfonylpyrimidin-4-yl)-6-(3-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole?
5-(2-methylsulfonylpyrimidin-4-yl)-6-(3-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 462.56 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfonylpyrimidin-4-yl)-6-(3-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 155804973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).