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

C17H18N2O5S — CID 7863233

IUPAC[2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] cyclopropanecarboxylate
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)COC(=O)C3CC3)n2)c1
InChIInChI=1S/C17H18N2O5S/c1-22-11-5-6-14(23-2)12(7-11)13-9-25-17(18-13)19-15(20)8-24-16(21)10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3,(H,18,19,20)
InChIKeyPMYWULHTLYRMEN-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.72
Rot. Bonds7

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

[2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] cyclopropanecarboxylate (PubChem CID 7863233) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is [2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] cyclopropanecarboxylate
PubChem CID7863233
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name[2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] cyclopropanecarboxylate
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)COC(=O)C3CC3)n2)c1
InChIInChI=1S/C17H18N2O5S/c1-22-11-5-6-14(23-2)12(7-11)13-9-25-17(18-13)19-15(20)8-24-16(21)10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3,(H,18,19,20)
InChIKeyPMYWULHTLYRMEN-UHFFFAOYSA-N
XLogP2.72
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] cyclopropanecarboxylate?
The IUPAC name of [2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] cyclopropanecarboxylate (CID 7863233) is [2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] cyclopropanecarboxylate is COc1ccc(OC)c(-c2csc(NC(=O)COC(=O)C3CC3)n2)c1.
What is the InChIKey of [2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] cyclopropanecarboxylate?
The InChIKey is PMYWULHTLYRMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-22-11-5-6-14(23-2)12(7-11)13-9-25-17(18-13)19-15(20)8-24-16(21)10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3,(H,18,19,20).
What are the key properties of [2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] cyclopropanecarboxylate?
[2-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] cyclopropanecarboxylate has a molecular weight of 362.41 g/mol, XLogP of 2.72, 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] cyclopropanecarboxylate is sourced from PubChem (CID 7863233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).