ethyl 1-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate

C17H24N2O5S — CID 163532984

IUPACethyl 1-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate
SMILESCCOC(=O)C1(c2csc(NCC(=O)OC(C)(C)C)n2)CCC(=O)C1
InChIInChI=1S/C17H24N2O5S/c1-5-23-14(22)17(7-6-11(20)8-17)12-10-25-15(19-12)18-9-13(21)24-16(2,3)4/h10H,5-9H2,1-4H3,(H,18,19)
InChIKeyDUOKMYAAPRJCDD-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.45
Rot. Bonds6

About ethyl 1-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate

ethyl 1-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate (PubChem CID 163532984) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is ethyl 1-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate
PubChem CID163532984
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Nameethyl 1-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate
SMILESCCOC(=O)C1(c2csc(NCC(=O)OC(C)(C)C)n2)CCC(=O)C1
InChIInChI=1S/C17H24N2O5S/c1-5-23-14(22)17(7-6-11(20)8-17)12-10-25-15(19-12)18-9-13(21)24-16(2,3)4/h10H,5-9H2,1-4H3,(H,18,19)
InChIKeyDUOKMYAAPRJCDD-UHFFFAOYSA-N
XLogP2.45
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 1-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate with MolForge

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Related Compounds

1-(2-((Tert-butoxycarbonyl)amino)thiazol-4-yl)-3-oxocyclopentane-1-carboxylic acid
CID 59735021
Ethyl 1-(2-((tert-butoxycarbonyl)amino)thiazol-4-yl)-3-oxocyclopentane-1-carboxylate
CID 59735047
N-[4-(1-ethoxycarbonyl-3-oxocyclopentyl)-1,3-thiazol-2-yl]-methylboronamidic acid
CID 59735061
Ethyl 1-(2-(bis(tert-butoxycarbonyl)amino)thiazol-4-yl)-3-oxocyclopentane-1-carboxylate
CID 59735069
Ethane;ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate
CID 142892430

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate (CID 163532984) is ethyl 1-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate is CCOC(=O)C1(c2csc(NCC(=O)OC(C)(C)C)n2)CCC(=O)C1.
What is the InChIKey of ethyl 1-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate?
The InChIKey is DUOKMYAAPRJCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-5-23-14(22)17(7-6-11(20)8-17)12-10-25-15(19-12)18-9-13(21)24-16(2,3)4/h10H,5-9H2,1-4H3,(H,18,19).
What are the key properties of ethyl 1-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate?
ethyl 1-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate has a molecular weight of 368.46 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate is sourced from PubChem (CID 163532984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).