2-methylpropyl 4-methyl-2-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate

C20H22N2O4S — CID 18861142

IUPAC2-methylpropyl 4-methyl-2-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCc1ccc2occ(CC(=O)Nc3nc(C)c(C(=O)OCC(C)C)s3)c2c1
InChIInChI=1S/C20H22N2O4S/c1-11(2)9-26-19(24)18-13(4)21-20(27-18)22-17(23)8-14-10-25-16-6-5-12(3)7-15(14)16/h5-7,10-11H,8-9H2,1-4H3,(H,21,22,23)
InChIKeyXELAGBOJLKCYJD-UHFFFAOYSA-N
MW386.47 g/mol
LogP4.50
Rot. Bonds6

About 2-methylpropyl 4-methyl-2-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate

2-methylpropyl 4-methyl-2-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 18861142) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-methylpropyl 4-methyl-2-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-methyl-2-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID18861142
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name2-methylpropyl 4-methyl-2-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCc1ccc2occ(CC(=O)Nc3nc(C)c(C(=O)OCC(C)C)s3)c2c1
InChIInChI=1S/C20H22N2O4S/c1-11(2)9-26-19(24)18-13(4)21-20(27-18)22-17(23)8-14-10-25-16-6-5-12(3)7-15(14)16/h5-7,10-11H,8-9H2,1-4H3,(H,21,22,23)
InChIKeyXELAGBOJLKCYJD-UHFFFAOYSA-N
XLogP4.50
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methylpropyl 4-methyl-2-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

2-methylpropyl 2-[[2-(5-bromo-1-benzofuran-3-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 18861056
2-methylpropyl 2-[[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 6624769
2-methylpropyl 4-methyl-2-(pent-4-ynoylamino)-1,3-thiazole-5-carboxylate
CID 82363233
2-methylpropyl 2-[[2-[5,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 1413424
2-(5-methyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 18872376
2-methylpropyl 4-methyl-2-[(3,5,6-trimethyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 4500170
2-methylpropyl 4-methyl-2-(pyridine-4-carbonylamino)-1,3-thiazole-5-carboxylate
CID 110444825
2-methylpropyl 4-methyl-2-[(2,2,2-trifluoroacetyl)amino]-1,3-thiazole-5-carboxylate
CID 110443163
2-methylpropyl 2-[[2-(4-formylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 23410765
2-(5-methyl-1-benzofuran-3-yl)-N-phenylacetamide
CID 18860446
2-methylpropyl 4-methyl-2-[[2-[[4-methyl-5-[(4-methylphenyl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate
CID 21013182
2-(5-chloro-1-benzofuran-3-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 18860954

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-methyl-2-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of 2-methylpropyl 4-methyl-2-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate (CID 18861142) is 2-methylpropyl 4-methyl-2-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-methyl-2-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for 2-methylpropyl 4-methyl-2-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate is Cc1ccc2occ(CC(=O)Nc3nc(C)c(C(=O)OCC(C)C)s3)c2c1.
What is the InChIKey of 2-methylpropyl 4-methyl-2-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is XELAGBOJLKCYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-11(2)9-26-19(24)18-13(4)21-20(27-18)22-17(23)8-14-10-25-16-6-5-12(3)7-15(14)16/h5-7,10-11H,8-9H2,1-4H3,(H,21,22,23).
What are the key properties of 2-methylpropyl 4-methyl-2-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
2-methylpropyl 4-methyl-2-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 386.47 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-methyl-2-[[2-(5-methyl-1-benzofuran-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 18861142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).