8-(methanesulfonamido)-2-(4-methoxy-3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid;2-trimethylsilylethyl 8-(methanesulfonamido)-2-(4-methoxy-3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate

C61H60N4O12S4Si — CID 163620147

IUPAC8-(methanesulfonamido)-2-(4-methoxy-3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid;2-trimethylsilylethyl 8-(methanesulfonamido)-2-(4-methoxy-3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
SMILESCOc1ccc(-c2sc3c(NS(C)(=O)=O)c(Cc4cccc5ccccc45)cc(=O)n3c2C(=O)O)cc1C.COc1ccc(-c2sc3c(NS(C)(=O)=O)c(Cc4cccc5ccccc45)cc(=O)n3c2C(=O)OCC[Si](C)(C)C)cc1C
InChIInChI=1S/C33H36N2O6S2Si.C28H24N2O6S2/c1-21-18-24(14-15-27(21)40-2)31-30(33(37)41-16-17-44(4,5)6)35-28(36)20-25(29(32(35)42-31)34-43(3,38)39)19-23-12-9-11-22-10-7-8-13-26(22)23;1-16-13-19(11-12-22(16)36-2)26-25(28(32)33)30-23(31)15-20(24(27(30)37-26)29-38(3,34)35)14-18-9-6-8-17-7-4-5-10-21(17)18/h7-15,18,20,34H,16-17,19H2,1-6H3;4-13,15,29H,14H2,1-3H3,(H,32,33)
InChIKeyHNKLFVLAFVIHKM-UHFFFAOYSA-N
MW1197.52 g/mol
LogP12.11
Rot. Bonds17

About 8-(methanesulfonamido)-2-(4-methoxy-3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid;2-trimethylsilylethyl 8-(methanesulfonamido)-2-(4-methoxy-3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate

8-(methanesulfonamido)-2-(4-methoxy-3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid;2-trimethylsilylethyl 8-(methanesulfonamido)-2-(4-methoxy-3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate (PubChem CID 163620147) has the molecular formula C61H60N4O12S4Si and a molecular weight of 1197.52 g/mol. Its IUPAC name is 8-(methanesulfonamido)-2-(4-methoxy-3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid;2-trimethylsilylethyl 8-(methanesulfonamido)-2-(4-methoxy-3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Name8-(methanesulfonamido)-2-(4-methoxy-3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid;2-trimethylsilylethyl 8-(methanesulfonamido)-2-(4-methoxy-3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
PubChem CID163620147
Molecular FormulaC61H60N4O12S4Si
Molecular Weight1197.52 g/mol
Exact Mass1196.29
IUPAC Name8-(methanesulfonamido)-2-(4-methoxy-3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid;2-trimethylsilylethyl 8-(methanesulfonamido)-2-(4-methoxy-3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
SMILESCOc1ccc(-c2sc3c(NS(C)(=O)=O)c(Cc4cccc5ccccc45)cc(=O)n3c2C(=O)O)cc1C.COc1ccc(-c2sc3c(NS(C)(=O)=O)c(Cc4cccc5ccccc45)cc(=O)n3c2C(=O)OCC[Si](C)(C)C)cc1C
InChIInChI=1S/C33H36N2O6S2Si.C28H24N2O6S2/c1-21-18-24(14-15-27(21)40-2)31-30(33(37)41-16-17-44(4,5)6)35-28(36)20-25(29(32(35)42-31)34-43(3,38)39)19-23-12-9-11-22-10-7-8-13-26(22)23;1-16-13-19(11-12-22(16)36-2)26-25(28(32)33)30-23(31)15-20(24(27(30)37-26)29-38(3,34)35)14-18-9-6-8-17-7-4-5-10-21(17)18/h7-15,18,20,34H,16-17,19H2,1-6H3;4-13,15,29H,14H2,1-3H3,(H,32,33)
InChIKeyHNKLFVLAFVIHKM-UHFFFAOYSA-N
XLogP12.11
TPSA217.36 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001197.52
LogP ≤ 512.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 8-(methanesulfonamido)-2-(4-methoxy-3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid;2-trimethylsilylethyl 8-(methanesulfonamido)-2-(4-methoxy-3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate with MolForge

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

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Related Compounds

8-methoxy-2-[3-methyl-4-(4-methylpentoxy)phenyl]-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
CID 162505514
methyl 7-(naphthalen-1-ylmethyl)-5-oxo-2-phenyl-8-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
CID 16732106
8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-2-thiophen-3-yl-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
CID 46901429
2-[4-(4-methoxy-3-methylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]acetic acid
CID 97180992
8-[(4-carboxy-2-methoxyphenyl)methyl]naphthalene-2-carboxylic acid
CID 67896407
2-(benzenesulfonyl)-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7544449
N-[1-(4-methoxy-3-methylphenyl)propyl]-3-naphthalen-1-ylpropanamide
CID 133161421
4-methoxy-3-(naphthalen-1-ylmethoxy)benzoic acid
CID 20986648
N-(2,5-dimethoxyphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84565259
1-(methanesulfonamido)naphthalene-2-carboxylic acid
CID 151146757
2-[4-(4-methoxy-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]acetic acid
CID 82132981
2-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82133572

Frequently Asked Questions

What is the IUPAC name of 8-(methanesulfonamido)-2-(4-methoxy-3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid;2-trimethylsilylethyl 8-(methanesulfonamido)-2-(4-methoxy-3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate?
The IUPAC name of 8-(methanesulfonamido)-2-(4-methoxy-3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid;2-trimethylsilylethyl 8-(methanesulfonamido)-2-(4-methoxy-3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate (CID 163620147) is 8-(methanesulfonamido)-2-(4-methoxy-3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid;2-trimethylsilylethyl 8-(methanesulfonamido)-2-(4-methoxy-3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate.
What is the SMILES notation for 8-(methanesulfonamido)-2-(4-methoxy-3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid;2-trimethylsilylethyl 8-(methanesulfonamido)-2-(4-methoxy-3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate?
The canonical SMILES for 8-(methanesulfonamido)-2-(4-methoxy-3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid;2-trimethylsilylethyl 8-(methanesulfonamido)-2-(4-methoxy-3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate is COc1ccc(-c2sc3c(NS(C)(=O)=O)c(Cc4cccc5ccccc45)cc(=O)n3c2C(=O)O)cc1C.COc1ccc(-c2sc3c(NS(C)(=O)=O)c(Cc4cccc5ccccc45)cc(=O)n3c2C(=O)OCC[Si](C)(C)C)cc1C.
What is the InChIKey of 8-(methanesulfonamido)-2-(4-methoxy-3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid;2-trimethylsilylethyl 8-(methanesulfonamido)-2-(4-methoxy-3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate?
The InChIKey is HNKLFVLAFVIHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N2O6S2Si.C28H24N2O6S2/c1-21-18-24(14-15-27(21)40-2)31-30(33(37)41-16-17-44(4,5)6)35-28(36)20-25(29(32(35)42-31)34-43(3,38)39)19-23-12-9-11-22-10-7-8-13-26(22)23;1-16-13-19(11-12-22(16)36-2)26-25(28(32)33)30-23(31)15-20(24(27(30)37-26)29-38(3,34)35)14-18-9-6-8-17-7-4-5-10-21(17)18/h7-15,18,20,34H,16-17,19H2,1-6H3;4-13,15,29H,14H2,1-3H3,(H,32,33).
What are the key properties of 8-(methanesulfonamido)-2-(4-methoxy-3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid;2-trimethylsilylethyl 8-(methanesulfonamido)-2-(4-methoxy-3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate?
8-(methanesulfonamido)-2-(4-methoxy-3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid;2-trimethylsilylethyl 8-(methanesulfonamido)-2-(4-methoxy-3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate has a molecular weight of 1197.52 g/mol, XLogP of 12.11, 17 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methanesulfonamido)-2-(4-methoxy-3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid;2-trimethylsilylethyl 8-(methanesulfonamido)-2-(4-methoxy-3-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 163620147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).