[2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] cyclobutanecarboxylate

C18H20N2O5S — CID 8019150

IUPAC[2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] cyclobutanecarboxylate
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)COC(=O)C3CCC3)n2)c1
InChIInChI=1S/C18H20N2O5S/c1-23-12-6-7-15(24-2)13(8-12)14-10-26-18(19-14)20-16(21)9-25-17(22)11-4-3-5-11/h6-8,10-11H,3-5,9H2,1-2H3,(H,19,20,21)
InChIKeyDDACUKUZCSOJIV-UHFFFAOYSA-N
MW376.43 g/mol
LogP3.11
Rot. Bonds7

About [2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] cyclobutanecarboxylate

[2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] cyclobutanecarboxylate (PubChem CID 8019150) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is [2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] cyclobutanecarboxylate.

Molecular Properties

Compound Name[2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] cyclobutanecarboxylate
PubChem CID8019150
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name[2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] cyclobutanecarboxylate
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)COC(=O)C3CCC3)n2)c1
InChIInChI=1S/C18H20N2O5S/c1-23-12-6-7-15(24-2)13(8-12)14-10-26-18(19-14)20-16(21)9-25-17(22)11-4-3-5-11/h6-8,10-11H,3-5,9H2,1-2H3,(H,19,20,21)
InChIKeyDDACUKUZCSOJIV-UHFFFAOYSA-N
XLogP3.11
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] cyclobutanecarboxylate with MolForge

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Related Compounds

Tioxamast
CID 68927
Ethyl (2-{[(3-methylphenoxy)acetyl]amino}-1,3-thiazol-4-yl)acetate
CID 699676
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CID 735048
N-[4-(2,5-Dimethoxy-phenyl)-thiazol-2-yl]-N-ethyl-propionamide
CID 861949
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-methyl-2-phenylacetamide
CID 1138502
N-[4-(2,5-Dimethoxy-phenyl)-thiazol-2-yl]-2-fluoro-benzamide
CID 1160658
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
CID 2091391
N-(4-(2,5-dimethoxyphenyl)thiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 2114184
[2-[[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2434101
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide
CID 2464070
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(phenylsulfanyl)acetamide
CID 2476607
N-[4-(2,5-dimethoxyphenyl)-2-thiazolyl]-N-(2-oxolanylmethyl)cyclohexanecarboxamide
CID 3172890

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] cyclobutanecarboxylate?
The IUPAC name of [2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] cyclobutanecarboxylate (CID 8019150) is [2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] cyclobutanecarboxylate.
What is the SMILES notation for [2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] cyclobutanecarboxylate?
The canonical SMILES for [2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] cyclobutanecarboxylate is COc1ccc(OC)c(-c2csc(NC(=O)COC(=O)C3CCC3)n2)c1.
What is the InChIKey of [2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] cyclobutanecarboxylate?
The InChIKey is DDACUKUZCSOJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-23-12-6-7-15(24-2)13(8-12)14-10-26-18(19-14)20-16(21)9-25-17(22)11-4-3-5-11/h6-8,10-11H,3-5,9H2,1-2H3,(H,19,20,21).
What are the key properties of [2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] cyclobutanecarboxylate?
[2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] cyclobutanecarboxylate has a molecular weight of 376.43 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] cyclobutanecarboxylate is sourced from PubChem (CID 8019150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).