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

C16H16N2O5S — CID 18101572

IUPACmethyl 2-[[2-(4-propanoylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCC(=O)c1ccc(OCC(=O)Nc2ncc(C(=O)OC)s2)cc1
InChIInChI=1S/C16H16N2O5S/c1-3-12(19)10-4-6-11(7-5-10)23-9-14(20)18-16-17-8-13(24-16)15(21)22-2/h4-8H,3,9H2,1-2H3,(H,17,18,20)
InChIKeyMDVGYMUSBNEFBV-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.54
Rot. Bonds7

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

methyl 2-[[2-(4-propanoylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 18101572) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is methyl 2-[[2-(4-propanoylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-propanoylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID18101572
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Namemethyl 2-[[2-(4-propanoylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCC(=O)c1ccc(OCC(=O)Nc2ncc(C(=O)OC)s2)cc1
InChIInChI=1S/C16H16N2O5S/c1-3-12(19)10-4-6-11(7-5-10)23-9-14(20)18-16-17-8-13(24-16)15(21)22-2/h4-8H,3,9H2,1-2H3,(H,17,18,20)
InChIKeyMDVGYMUSBNEFBV-UHFFFAOYSA-N
XLogP2.54
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-propanoylphenoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 38782533
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-propanoylphenoxy)acetamide
CID 8750173
N-(5-methyl-2-pyridinyl)-2-(4-propanoylphenoxy)acetamide
CID 18106801
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-propanoylphenoxy)acetamide
CID 7919939
N-(4-ethoxyphenyl)-2-(4-propanoylphenoxy)acetamide
CID 2542308
methyl 2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103773
methyl 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103661
ethyl 4,5-dimethyl-2-[[2-(4-propanoylphenoxy)acetyl]amino]thiophene-3-carboxylate
CID 8604745
methyl 2-[(4-chlorobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 18103549
methyl 2-(4-propoxyanilino)-1,3-thiazole-5-carboxylate
CID 80571492
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(4-propanoylphenoxy)acetamide
CID 46601361
methyl 2-[[2-(2-chlorophenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103649

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-propanoylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[[2-(4-propanoylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate (CID 18101572) is methyl 2-[[2-(4-propanoylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[2-(4-propanoylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[[2-(4-propanoylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate is CCC(=O)c1ccc(OCC(=O)Nc2ncc(C(=O)OC)s2)cc1.
What is the InChIKey of methyl 2-[[2-(4-propanoylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is MDVGYMUSBNEFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-3-12(19)10-4-6-11(7-5-10)23-9-14(20)18-16-17-8-13(24-16)15(21)22-2/h4-8H,3,9H2,1-2H3,(H,17,18,20).
What are the key properties of methyl 2-[[2-(4-propanoylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate?
methyl 2-[[2-(4-propanoylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 348.38 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-propanoylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 18101572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).