ethyl 4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylate

C21H24N4O4S — CID 86671253

IUPACethyl 4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cc2cccc3c2cnn3C2CCCCO2)nc1C
InChIInChI=1S/C21H24N4O4S/c1-3-28-20(27)19-13(2)23-21(30-19)24-17(26)11-14-7-6-8-16-15(14)12-22-25(16)18-9-4-5-10-29-18/h6-8,12,18H,3-5,9-11H2,1-2H3,(H,23,24,26)
InChIKeyTYMAZLHKMDTPGL-UHFFFAOYSA-N
MW428.51 g/mol
LogP3.86
Rot. Bonds6

About ethyl 4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 86671253) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is ethyl 4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID86671253
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC Nameethyl 4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)Cc2cccc3c2cnn3C2CCCCO2)nc1C
InChIInChI=1S/C21H24N4O4S/c1-3-28-20(27)19-13(2)23-21(30-19)24-17(26)11-14-7-6-8-16-15(14)12-22-25(16)18-9-4-5-10-29-18/h6-8,12,18H,3-5,9-11H2,1-2H3,(H,23,24,26)
InChIKeyTYMAZLHKMDTPGL-UHFFFAOYSA-N
XLogP3.86
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylate (CID 86671253) is ethyl 4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)Cc2cccc3c2cnn3C2CCCCO2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is TYMAZLHKMDTPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-3-28-20(27)19-13(2)23-21(30-19)24-17(26)11-14-7-6-8-16-15(14)12-22-25(16)18-9-4-5-10-29-18/h6-8,12,18H,3-5,9-11H2,1-2H3,(H,23,24,26).
What are the key properties of ethyl 4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 428.51 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[[2-[1-(oxan-2-yl)indazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 86671253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).