6-chloro-5-(5-phenylmethoxyindol-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole

C20H14ClN3O3S2 — CID 141072483

IUPAC6-chloro-5-(5-phenylmethoxyindol-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole
SMILESO=S(=O)(c1c(Cl)nc2sccn12)n1ccc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C20H14ClN3O3S2/c21-18-19(23-10-11-28-20(23)22-18)29(25,26)24-9-8-15-12-16(6-7-17(15)24)27-13-14-4-2-1-3-5-14/h1-12H,13H2
InChIKeyXBGNGSRBXKGKDL-UHFFFAOYSA-N
MW443.94 g/mol
LogP4.82
Rot. Bonds5

About 6-chloro-5-(5-phenylmethoxyindol-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole

6-chloro-5-(5-phenylmethoxyindol-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole (PubChem CID 141072483) has the molecular formula C20H14ClN3O3S2 and a molecular weight of 443.94 g/mol. Its IUPAC name is 6-chloro-5-(5-phenylmethoxyindol-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-chloro-5-(5-phenylmethoxyindol-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole
PubChem CID141072483
Molecular FormulaC20H14ClN3O3S2
Molecular Weight443.94 g/mol
Exact Mass443.02
IUPAC Name6-chloro-5-(5-phenylmethoxyindol-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole
SMILESO=S(=O)(c1c(Cl)nc2sccn12)n1ccc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C20H14ClN3O3S2/c21-18-19(23-10-11-28-20(23)22-18)29(25,26)24-9-8-15-12-16(6-7-17(15)24)27-13-14-4-2-1-3-5-14/h1-12H,13H2
InChIKeyXBGNGSRBXKGKDL-UHFFFAOYSA-N
XLogP4.82
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.94
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-5-phenylmethoxyindol-3-yl]ethanamine
CID 10238981
6-chloro-5-thieno[3,2-b]pyrrol-4-ylsulfonylimidazo[2,1-b][1,3]thiazole
CID 141196349
5-[2-(4-benzylpiperazin-1-yl)indol-1-yl]sulfonyl-6-chloroimidazo[2,1-b][1,3]thiazole
CID 154452715
6-chloro-N-[2-[[4-(cyanomethyl)phenoxy]methyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 154858741
6-(4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3758507
3-(5-phenylmethoxyindol-1-yl)propanoic acid
CID 22570271
N-[3-(5-phenylmethoxyindol-1-yl)propyl]methanesulfonamide
CID 177163810
2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonylpyrrolo[3,2-b]pyridin-3-yl]-N,N-dimethylethanamine
CID 59176261
ethane;1-(2-phenylethyl)-5-phenylmethoxyindole
CID 145371075
2-[1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl-2-methylindol-3-yl]oxy-N,N-diethylethanamine
CID 24989089
methyl 2-(5-phenylmethoxyindol-1-yl)acetate
CID 20770836
N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4-(phenoxymethyl)benzamide
CID 8518070

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(5-phenylmethoxyindol-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-chloro-5-(5-phenylmethoxyindol-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole (CID 141072483) is 6-chloro-5-(5-phenylmethoxyindol-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-chloro-5-(5-phenylmethoxyindol-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-chloro-5-(5-phenylmethoxyindol-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole is O=S(=O)(c1c(Cl)nc2sccn12)n1ccc2cc(OCc3ccccc3)ccc21.
What is the InChIKey of 6-chloro-5-(5-phenylmethoxyindol-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole?
The InChIKey is XBGNGSRBXKGKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O3S2/c21-18-19(23-10-11-28-20(23)22-18)29(25,26)24-9-8-15-12-16(6-7-17(15)24)27-13-14-4-2-1-3-5-14/h1-12H,13H2.
What are the key properties of 6-chloro-5-(5-phenylmethoxyindol-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole?
6-chloro-5-(5-phenylmethoxyindol-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole has a molecular weight of 443.94 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(5-phenylmethoxyindol-1-yl)sulfonylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 141072483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).