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

C22H23N5O3S2 — CID 155809870

IUPAC5-(2-methylsulfonylpyrimidin-4-yl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[2,1-b][1,3]thiazole
SMILESCS(=O)(=O)c1nccc(-c2c(-c3ccc(OCCN4CCCC4)cc3)nc3sccn23)n1
InChIInChI=1S/C22H23N5O3S2/c1-32(28,29)21-23-9-8-18(24-21)20-19(25-22-27(20)13-15-31-22)16-4-6-17(7-5-16)30-14-12-26-10-2-3-11-26/h4-9,13,15H,2-3,10-12,14H2,1H3
InChIKeyBEGCRQPDGMJOMW-UHFFFAOYSA-N
MW469.59 g/mol
LogP3.40
Rot. Bonds7

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

5-(2-methylsulfonylpyrimidin-4-yl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 155809870) has the molecular formula C22H23N5O3S2 and a molecular weight of 469.59 g/mol. Its IUPAC name is 5-(2-methylsulfonylpyrimidin-4-yl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(2-methylsulfonylpyrimidin-4-yl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[2,1-b][1,3]thiazole
PubChem CID155809870
Molecular FormulaC22H23N5O3S2
Molecular Weight469.59 g/mol
Exact Mass469.12
IUPAC Name5-(2-methylsulfonylpyrimidin-4-yl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[2,1-b][1,3]thiazole
SMILESCS(=O)(=O)c1nccc(-c2c(-c3ccc(OCCN4CCCC4)cc3)nc3sccn23)n1
InChIInChI=1S/C22H23N5O3S2/c1-32(28,29)21-23-9-8-18(24-21)20-19(25-22-27(20)13-15-31-22)16-4-6-17(7-5-16)30-14-12-26-10-2-3-11-26/h4-9,13,15H,2-3,10-12,14H2,1H3
InChIKeyBEGCRQPDGMJOMW-UHFFFAOYSA-N
XLogP3.40
TPSA89.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfonylpyrimidin-4-yl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(2-methylsulfonylpyrimidin-4-yl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[2,1-b][1,3]thiazole (CID 155809870) is 5-(2-methylsulfonylpyrimidin-4-yl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(2-methylsulfonylpyrimidin-4-yl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(2-methylsulfonylpyrimidin-4-yl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[2,1-b][1,3]thiazole is CS(=O)(=O)c1nccc(-c2c(-c3ccc(OCCN4CCCC4)cc3)nc3sccn23)n1.
What is the InChIKey of 5-(2-methylsulfonylpyrimidin-4-yl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is BEGCRQPDGMJOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S2/c1-32(28,29)21-23-9-8-18(24-21)20-19(25-22-27(20)13-15-31-22)16-4-6-17(7-5-16)30-14-12-26-10-2-3-11-26/h4-9,13,15H,2-3,10-12,14H2,1H3.
What are the key properties of 5-(2-methylsulfonylpyrimidin-4-yl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[2,1-b][1,3]thiazole?
5-(2-methylsulfonylpyrimidin-4-yl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 469.59 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfonylpyrimidin-4-yl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 155809870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).