ethyl 2-[2-[[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]-1,3-thiazol-4-yl]acetate

C19H19N3O4S2 — CID 24599388

IUPACethyl 2-[2-[[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccccc2OCc2csc(C)n2)n1
InChIInChI=1S/C19H19N3O4S2/c1-3-25-17(23)8-13-10-28-19(21-13)22-18(24)15-6-4-5-7-16(15)26-9-14-11-27-12(2)20-14/h4-7,10-11H,3,8-9H2,1-2H3,(H,21,22,24)
InChIKeyFKMDCDSLMBIBCK-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.84
Rot. Bonds8

About ethyl 2-[2-[[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 24599388) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is ethyl 2-[2-[[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID24599388
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC Nameethyl 2-[2-[[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccccc2OCc2csc(C)n2)n1
InChIInChI=1S/C19H19N3O4S2/c1-3-25-17(23)8-13-10-28-19(21-13)22-18(24)15-6-4-5-7-16(15)26-9-14-11-27-12(2)20-14/h4-7,10-11H,3,8-9H2,1-2H3,(H,21,22,24)
InChIKeyFKMDCDSLMBIBCK-UHFFFAOYSA-N
XLogP3.84
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[2-[[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

ethyl 2-[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 18139388
ethyl 2-[2-[(2,3-difluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 60620680
N-(4-carbamoylphenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 17497709
ethyl 2-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
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N-[(2-methoxyphenyl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9404884
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-[[2-(2-propoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 18129539
N-[(2-chlorophenyl)methyl]-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9401470
ethyl 2-[2-[[2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 46492925
ethyl 2-[2-[(4-phenoxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 2466553
ethyl 2-[2-[[4-(pyrimidin-2-ylamino)benzoyl]amino]-1,3-thiazol-4-yl]acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]-1,3-thiazol-4-yl]acetate (CID 24599388) is ethyl 2-[2-[[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2ccccc2OCc2csc(C)n2)n1.
What is the InChIKey of ethyl 2-[2-[[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is FKMDCDSLMBIBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S2/c1-3-25-17(23)8-13-10-28-19(21-13)22-18(24)15-6-4-5-7-16(15)26-9-14-11-27-12(2)20-14/h4-7,10-11H,3,8-9H2,1-2H3,(H,21,22,24).
What are the key properties of ethyl 2-[2-[[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 417.51 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 24599388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).