2-[[3-(1-methoxypropan-2-yloxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzoyl]amino]-1,3-thiazole-5-carboxamide

C24H23N5O6S — CID 87220867

IUPAC2-[[3-(1-methoxypropan-2-yloxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzoyl]amino]-1,3-thiazole-5-carboxamide
SMILESCOCC(C)Oc1cc(Oc2ccc(-c3nnc(C)o3)cc2)cc(C(=O)Nc2ncc(C(N)=O)s2)c1
InChIInChI=1S/C24H23N5O6S/c1-13(12-32-3)33-18-8-16(22(31)27-24-26-11-20(36-24)21(25)30)9-19(10-18)35-17-6-4-15(5-7-17)23-29-28-14(2)34-23/h4-11,13H,12H2,1-3H3,(H2,25,30)(H,26,27,31)
InChIKeyFVNPDXYACSQWMW-UHFFFAOYSA-N
MW509.54 g/mol
LogP4.06
Rot. Bonds10

About 2-[[3-(1-methoxypropan-2-yloxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzoyl]amino]-1,3-thiazole-5-carboxamide

2-[[3-(1-methoxypropan-2-yloxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzoyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 87220867) has the molecular formula C24H23N5O6S and a molecular weight of 509.54 g/mol. Its IUPAC name is 2-[[3-(1-methoxypropan-2-yloxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzoyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[3-(1-methoxypropan-2-yloxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzoyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID87220867
Molecular FormulaC24H23N5O6S
Molecular Weight509.54 g/mol
Exact Mass509.14
IUPAC Name2-[[3-(1-methoxypropan-2-yloxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzoyl]amino]-1,3-thiazole-5-carboxamide
SMILESCOCC(C)Oc1cc(Oc2ccc(-c3nnc(C)o3)cc2)cc(C(=O)Nc2ncc(C(N)=O)s2)c1
InChIInChI=1S/C24H23N5O6S/c1-13(12-32-3)33-18-8-16(22(31)27-24-26-11-20(36-24)21(25)30)9-19(10-18)35-17-6-4-15(5-7-17)23-29-28-14(2)34-23/h4-11,13H,12H2,1-3H3,(H2,25,30)(H,26,27,31)
InChIKeyFVNPDXYACSQWMW-UHFFFAOYSA-N
XLogP4.06
TPSA151.69 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.54
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[[3-(1-methoxypropan-2-yloxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzoyl]amino]-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]-3-(1-methoxypropan-2-yloxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzamide
CID 88532151
3-(1-methoxypropan-2-yloxy)-5-[4-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenoxy]-N-(1,3-thiazol-2-yl)benzamide
CID 88531682
3-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 88532254
3-but-3-enoxy-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 87428360
3-[4-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 87429591
3-(1-methoxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 71021564
3-(1-cyclopropylethoxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 88531935
3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 50914586
4-diethoxyphosphorylphenol;N-[5-(4-diethoxyphosphorylphenoxy)-1,3-thiazol-2-yl]-3-[(2S)-1-methoxypropan-2-yl]oxy-5-(4-methylsulfonylphenoxy)benzamide
CID 159614568
[3-[[2-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-(4-methylsulfonylphenoxy)benzoyl]amino]-1,3-thiazol-5-yl]oxy]phenyl] 3-[(2S)-1-methoxypropan-2-yl]oxy-5-(4-methylsulfonylphenoxy)benzoate
CID 59404938
3-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1,3-thiazol-2-yl)benzamide
CID 73426769
[3-[[2-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-(4-methylsulfonylphenoxy)benzoyl]amino]-1,3-thiazol-5-yl]oxy]phenyl] N-methylcarbamate
CID 59404935

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1-methoxypropan-2-yloxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzoyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[3-(1-methoxypropan-2-yloxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzoyl]amino]-1,3-thiazole-5-carboxamide (CID 87220867) is 2-[[3-(1-methoxypropan-2-yloxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzoyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[3-(1-methoxypropan-2-yloxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzoyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[3-(1-methoxypropan-2-yloxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzoyl]amino]-1,3-thiazole-5-carboxamide is COCC(C)Oc1cc(Oc2ccc(-c3nnc(C)o3)cc2)cc(C(=O)Nc2ncc(C(N)=O)s2)c1.
What is the InChIKey of 2-[[3-(1-methoxypropan-2-yloxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzoyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is FVNPDXYACSQWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O6S/c1-13(12-32-3)33-18-8-16(22(31)27-24-26-11-20(36-24)21(25)30)9-19(10-18)35-17-6-4-15(5-7-17)23-29-28-14(2)34-23/h4-11,13H,12H2,1-3H3,(H2,25,30)(H,26,27,31).
What are the key properties of 2-[[3-(1-methoxypropan-2-yloxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzoyl]amino]-1,3-thiazole-5-carboxamide?
2-[[3-(1-methoxypropan-2-yloxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzoyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 509.54 g/mol, XLogP of 4.06, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-methoxypropan-2-yloxy)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]benzoyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 87220867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).