4-[4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine

C19H18N4O3S3 — CID 86895900

IUPAC4-[4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine
SMILESCc1nc2sccn2c1-c1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1
InChIInChI=1S/C19H18N4O3S3/c1-13-17(23-8-11-27-19(23)20-13)18-21-16(12-28-18)14-2-4-15(5-3-14)29(24,25)22-6-9-26-10-7-22/h2-5,8,11-12H,6-7,9-10H2,1H3
InChIKeyCUVJYAWGFGENAU-UHFFFAOYSA-N
MW446.58 g/mol
LogP3.52
Rot. Bonds4

About 4-[4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine

4-[4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine (PubChem CID 86895900) has the molecular formula C19H18N4O3S3 and a molecular weight of 446.58 g/mol. Its IUPAC name is 4-[4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine
PubChem CID86895900
Molecular FormulaC19H18N4O3S3
Molecular Weight446.58 g/mol
Exact Mass446.05
IUPAC Name4-[4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine
SMILESCc1nc2sccn2c1-c1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1
InChIInChI=1S/C19H18N4O3S3/c1-13-17(23-8-11-27-19(23)20-13)18-21-16(12-28-18)14-2-4-15(5-3-14)29(24,25)22-6-9-26-10-7-22/h2-5,8,11-12H,6-7,9-10H2,1H3
InChIKeyCUVJYAWGFGENAU-UHFFFAOYSA-N
XLogP3.52
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]phenol
CID 135687417
2-(3-methylthiophen-2-yl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole
CID 35618551
1-[[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]amino]ethanol
CID 123786548
4-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]morpholine
CID 43001422
1-(4-methoxyphenyl)-2-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]ethanone
CID 158335726
4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-thiophen-3-yl-1,3-thiazole
CID 171703804
N-[(2-chlorophenyl)methyl]-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 110826546
N-(3,4-dimethylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2837328
N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]-2,2-diphenylacetamide
CID 19114743
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
2-methyl-4-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazole
CID 5121126
4-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylmorpholine
CID 663895

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine (CID 86895900) is 4-[4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine is Cc1nc2sccn2c1-c1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1.
What is the InChIKey of 4-[4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine?
The InChIKey is CUVJYAWGFGENAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S3/c1-13-17(23-8-11-27-19(23)20-13)18-21-16(12-28-18)14-2-4-15(5-3-14)29(24,25)22-6-9-26-10-7-22/h2-5,8,11-12H,6-7,9-10H2,1H3.
What are the key properties of 4-[4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine?
4-[4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine has a molecular weight of 446.58 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-4-yl]phenyl]sulfonylmorpholine is sourced from PubChem (CID 86895900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).