2-(6-chloro-3,5-dimethylindazol-1-yl)-N-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetamide

C22H23ClN4O3S — CID 11691112

IUPAC2-(6-chloro-3,5-dimethylindazol-1-yl)-N-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetamide
SMILESCOc1ccc(C2SC(C)C(=O)N2NC(=O)Cn2nc(C)c3cc(C)c(Cl)cc32)cc1
InChIInChI=1S/C22H23ClN4O3S/c1-12-9-17-13(2)24-26(19(17)10-18(12)23)11-20(28)25-27-21(29)14(3)31-22(27)15-5-7-16(30-4)8-6-15/h5-10,14,22H,11H2,1-4H3,(H,25,28)
InChIKeyMAWCPBLKSFGXHH-UHFFFAOYSA-N
MW458.97 g/mol
LogP4.01
Rot. Bonds5

About 2-(6-chloro-3,5-dimethylindazol-1-yl)-N-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetamide

2-(6-chloro-3,5-dimethylindazol-1-yl)-N-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetamide (PubChem CID 11691112) has the molecular formula C22H23ClN4O3S and a molecular weight of 458.97 g/mol. Its IUPAC name is 2-(6-chloro-3,5-dimethylindazol-1-yl)-N-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-3,5-dimethylindazol-1-yl)-N-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetamide
PubChem CID11691112
Molecular FormulaC22H23ClN4O3S
Molecular Weight458.97 g/mol
Exact Mass458.12
IUPAC Name2-(6-chloro-3,5-dimethylindazol-1-yl)-N-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetamide
SMILESCOc1ccc(C2SC(C)C(=O)N2NC(=O)Cn2nc(C)c3cc(C)c(Cl)cc32)cc1
InChIInChI=1S/C22H23ClN4O3S/c1-12-9-17-13(2)24-26(19(17)10-18(12)23)11-20(28)25-27-21(29)14(3)31-22(27)15-5-7-16(30-4)8-6-15/h5-10,14,22H,11H2,1-4H3,(H,25,28)
InChIKeyMAWCPBLKSFGXHH-UHFFFAOYSA-N
XLogP4.01
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-chloro-3-methylindazol-1-yl)-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 11582799
N-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 42814458
2-(4-methoxyphenyl)-3-[4-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]phenyl]-5-methyl-1,3-thiazolidin-4-one
CID 5031264
2-carbazol-9-yl-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 10812585
N-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
CID 10790323
N-[2-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]ethyl]-N-methylcyclopropanecarboxamide
CID 42814559
N-[3-chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-(4-chlorophenyl)acetamide
CID 25023378
N,N-dibutyl-2-(6-methoxy-3-methylindazol-1-yl)acetamide
CID 143018288
N-[(4-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 22513131
N-[(E)-(6-chloro-7-methyl-4-oxochromen-3-yl)methylideneamino]-2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]acetamide
CID 44723237
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone
CID 62129687
2-[3-(4-methoxybenzoyl)-6-methylindazol-1-yl]acetic acid
CID 170857578

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3,5-dimethylindazol-1-yl)-N-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The IUPAC name of 2-(6-chloro-3,5-dimethylindazol-1-yl)-N-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetamide (CID 11691112) is 2-(6-chloro-3,5-dimethylindazol-1-yl)-N-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetamide.
What is the SMILES notation for 2-(6-chloro-3,5-dimethylindazol-1-yl)-N-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The canonical SMILES for 2-(6-chloro-3,5-dimethylindazol-1-yl)-N-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetamide is COc1ccc(C2SC(C)C(=O)N2NC(=O)Cn2nc(C)c3cc(C)c(Cl)cc32)cc1.
What is the InChIKey of 2-(6-chloro-3,5-dimethylindazol-1-yl)-N-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetamide?
The InChIKey is MAWCPBLKSFGXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3S/c1-12-9-17-13(2)24-26(19(17)10-18(12)23)11-20(28)25-27-21(29)14(3)31-22(27)15-5-7-16(30-4)8-6-15/h5-10,14,22H,11H2,1-4H3,(H,25,28).
What are the key properties of 2-(6-chloro-3,5-dimethylindazol-1-yl)-N-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetamide?
2-(6-chloro-3,5-dimethylindazol-1-yl)-N-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 458.97 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3,5-dimethylindazol-1-yl)-N-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 11691112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).