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

C16H22N2O5S — CID 59735047

IUPACethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate
SMILESCCOC(=O)C1(c2csc(NC(=O)OC(C)(C)C)n2)CCC(=O)C1
InChIInChI=1S/C16H22N2O5S/c1-5-22-12(20)16(7-6-10(19)8-16)11-9-24-13(17-11)18-14(21)23-15(2,3)4/h9H,5-8H2,1-4H3,(H,17,18,21)
InChIKeyQAWJGDUOKYVEAU-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.04
Rot. Bonds4

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

ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate (PubChem CID 59735047) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate
PubChem CID59735047
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Nameethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate
SMILESCCOC(=O)C1(c2csc(NC(=O)OC(C)(C)C)n2)CCC(=O)C1
InChIInChI=1S/C16H22N2O5S/c1-5-22-12(20)16(7-6-10(19)8-16)11-9-24-13(17-11)18-14(21)23-15(2,3)4/h9H,5-8H2,1-4H3,(H,17,18,21)
InChIKeyQAWJGDUOKYVEAU-UHFFFAOYSA-N
XLogP3.04
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 2-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-4-oxobutanoate
CID 58913335
1-(2-((Tert-butoxycarbonyl)amino)thiazol-4-yl)-3-oxocyclopentane-1-carboxylic acid
CID 59735021
1-[2-[[Hydroxy(methyl)boranyl]amino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylic acid
CID 59735046
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
racemic 2(R,S)-{(2-(1,1-dimethylethyloxycarbonyl)amino-4-thiazolyl)-methyl}-1,4-butanedioic acid 4-(1,1-dimethylethyl) 1-methyl ester
CID 88263575
4-O-tert-butyl 1-O-methyl (2R)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]methyl]butanedioate
CID 88263576
Ethane;ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate
CID 142892430
Ethyl 1-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate
CID 163532984
4-O-tert-butyl 1-O-methyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]methyl]butanedioate
CID 100941282

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate (CID 59735047) is ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate is CCOC(=O)C1(c2csc(NC(=O)OC(C)(C)C)n2)CCC(=O)C1.
What is the InChIKey of ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate?
The InChIKey is QAWJGDUOKYVEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-5-22-12(20)16(7-6-10(19)8-16)11-9-24-13(17-11)18-14(21)23-15(2,3)4/h9H,5-8H2,1-4H3,(H,17,18,21).
What are the key properties of ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate?
ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate has a molecular weight of 354.43 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate is sourced from PubChem (CID 59735047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).