methyl 2-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methoxyphenyl]sulfonyl-2-methylpropanoate

C20H25N3O6S2 — CID 146411335

IUPACmethyl 2-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methoxyphenyl]sulfonyl-2-methylpropanoate
SMILESCOC(=O)C(C)(C)S(=O)(=O)c1cc(-c2c(C)nc3sc(C(C)(C)O)nn23)ccc1OC
InChIInChI=1S/C20H25N3O6S2/c1-11-15(23-18(21-11)30-16(22-23)19(2,3)25)12-8-9-13(28-6)14(10-12)31(26,27)20(4,5)17(24)29-7/h8-10,25H,1-7H3
InChIKeyKWDBANWCVSEZMI-UHFFFAOYSA-N
MW467.57 g/mol
LogP2.73
Rot. Bonds6

About methyl 2-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methoxyphenyl]sulfonyl-2-methylpropanoate

methyl 2-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methoxyphenyl]sulfonyl-2-methylpropanoate (PubChem CID 146411335) has the molecular formula C20H25N3O6S2 and a molecular weight of 467.57 g/mol. Its IUPAC name is methyl 2-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methoxyphenyl]sulfonyl-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methoxyphenyl]sulfonyl-2-methylpropanoate
PubChem CID146411335
Molecular FormulaC20H25N3O6S2
Molecular Weight467.57 g/mol
Exact Mass467.12
IUPAC Namemethyl 2-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methoxyphenyl]sulfonyl-2-methylpropanoate
SMILESCOC(=O)C(C)(C)S(=O)(=O)c1cc(-c2c(C)nc3sc(C(C)(C)O)nn23)ccc1OC
InChIInChI=1S/C20H25N3O6S2/c1-11-15(23-18(21-11)30-16(22-23)19(2,3)25)12-8-9-13(28-6)14(10-12)31(26,27)20(4,5)17(24)29-7/h8-10,25H,1-7H3
InChIKeyKWDBANWCVSEZMI-UHFFFAOYSA-N
XLogP2.73
TPSA120.09 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze methyl 2-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methoxyphenyl]sulfonyl-2-methylpropanoate with MolForge

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Related Compounds

1-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methoxyphenyl]sulfonyl-N,N-dimethylformamide
CID 166003420
2-[5-(4-methoxy-3-methylphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-2-ol
CID 146411679
5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 146411315
2-[5-[3-[1-(2-hydroxypropan-2-yl)cyclopropyl]sulfonyl-4-methoxyphenyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-2-ol
CID 146411327
4-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methoxyphenyl]sulfonyl-1-methylcyclohexan-1-ol
CID 146411671
5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methoxybenzenesulfinic acid
CID 146411748
[5-[3-(azetidin-3-ylsulfonyl)-4-methoxyphenyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-dicyclopropylmethanol
CID 146411770
1-[3-[5-[2-[dicyclopropyl(hydroxy)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methoxyphenyl]sulfonylazetidin-1-yl]ethanone
CID 146411548
1-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methylphenyl]sulfonyl-2-methylpropan-2-ol
CID 146411481
2-[5-[3-[(4-hydroxycyclohexyl)sulfamoyl]-4-methoxyphenyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N,N,2-trimethylpropanamide
CID 146411680
2-[5-[4-methoxy-3-(1-methylsulfanylazetidin-3-yl)sulfanylphenyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-2-ol
CID 156543428
2-[5-[4-methoxy-3-[(3-methyloxetan-3-yl)methylsulfinyl]phenyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]propan-2-ol
CID 156543399

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methoxyphenyl]sulfonyl-2-methylpropanoate?
The IUPAC name of methyl 2-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methoxyphenyl]sulfonyl-2-methylpropanoate (CID 146411335) is methyl 2-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methoxyphenyl]sulfonyl-2-methylpropanoate.
What is the SMILES notation for methyl 2-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methoxyphenyl]sulfonyl-2-methylpropanoate?
The canonical SMILES for methyl 2-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methoxyphenyl]sulfonyl-2-methylpropanoate is COC(=O)C(C)(C)S(=O)(=O)c1cc(-c2c(C)nc3sc(C(C)(C)O)nn23)ccc1OC.
What is the InChIKey of methyl 2-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methoxyphenyl]sulfonyl-2-methylpropanoate?
The InChIKey is KWDBANWCVSEZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O6S2/c1-11-15(23-18(21-11)30-16(22-23)19(2,3)25)12-8-9-13(28-6)14(10-12)31(26,27)20(4,5)17(24)29-7/h8-10,25H,1-7H3.
What are the key properties of methyl 2-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methoxyphenyl]sulfonyl-2-methylpropanoate?
methyl 2-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methoxyphenyl]sulfonyl-2-methylpropanoate has a molecular weight of 467.57 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[2-(2-hydroxypropan-2-yl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methoxyphenyl]sulfonyl-2-methylpropanoate is sourced from PubChem (CID 146411335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).