[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate

C18H20N2O7S — CID 8958443

IUPAC[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)NC(=O)[C@H](C)OC(=O)Cc1csc(-c2cccc(OC)c2OC)n1
InChIInChI=1S/C18H20N2O7S/c1-10(16(22)20-18(23)26-4)27-14(21)8-11-9-28-17(19-11)12-6-5-7-13(24-2)15(12)25-3/h5-7,9-10H,8H2,1-4H3,(H,20,22,23)/t10-/m0/s1
InChIKeyUJJYLKUEQFAEAV-JTQLQIEISA-N
MW408.43 g/mol
LogP2.18
Rot. Bonds7

About [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate

[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate (PubChem CID 8958443) has the molecular formula C18H20N2O7S and a molecular weight of 408.43 g/mol. Its IUPAC name is [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate
PubChem CID8958443
Molecular FormulaC18H20N2O7S
Molecular Weight408.43 g/mol
Exact Mass408.10
IUPAC Name[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)NC(=O)[C@H](C)OC(=O)Cc1csc(-c2cccc(OC)c2OC)n1
InChIInChI=1S/C18H20N2O7S/c1-10(16(22)20-18(23)26-4)27-14(21)8-11-9-28-17(19-11)12-6-5-7-13(24-2)15(12)25-3/h5-7,9-10H,8H2,1-4H3,(H,20,22,23)/t10-/m0/s1
InChIKeyUJJYLKUEQFAEAV-JTQLQIEISA-N
XLogP2.18
TPSA113.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[[2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 45492200
N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine
CID 82515969
N-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 60672836
[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55419703
4-O-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 41089254
2-(2,3-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 145341916
2-(2,3-dimethoxyphenyl)-4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazole
CID 52728170
[(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetate
CID 8997652
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(2-phenylacetyl)amino]acetate
CID 31273909
[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-(2,4-dimethoxyphenyl)acetate
CID 9385283
ethyl 2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 15336769
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 30885967

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate (CID 8958443) is [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate is COC(=O)NC(=O)[C@H](C)OC(=O)Cc1csc(-c2cccc(OC)c2OC)n1.
What is the InChIKey of [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is UJJYLKUEQFAEAV-JTQLQIEISA-N. The full InChI is InChI=1S/C18H20N2O7S/c1-10(16(22)20-18(23)26-4)27-14(21)8-11-9-28-17(19-11)12-6-5-7-13(24-2)15(12)25-3/h5-7,9-10H,8H2,1-4H3,(H,20,22,23)/t10-/m0/s1.
What are the key properties of [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate?
[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 408.43 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 8958443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).