ethyl 2-oxo-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate

C14H18N4O5S — CID 3816107

IUPACethyl 2-oxo-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
SMILESCCOC(=O)C1COC(=O)N1C1CCN(C(=O)c2csnn2)CC1
InChIInChI=1S/C14H18N4O5S/c1-2-22-13(20)11-7-23-14(21)18(11)9-3-5-17(6-4-9)12(19)10-8-24-16-15-10/h8-9,11H,2-7H2,1H3
InChIKeyXOEQPXZRPNIRQC-UHFFFAOYSA-N
MW354.39 g/mol
LogP0.53
Rot. Bonds4

About ethyl 2-oxo-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate

ethyl 2-oxo-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate (PubChem CID 3816107) has the molecular formula C14H18N4O5S and a molecular weight of 354.39 g/mol. Its IUPAC name is ethyl 2-oxo-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
PubChem CID3816107
Molecular FormulaC14H18N4O5S
Molecular Weight354.39 g/mol
Exact Mass354.10
IUPAC Nameethyl 2-oxo-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
SMILESCCOC(=O)C1COC(=O)N1C1CCN(C(=O)c2csnn2)CC1
InChIInChI=1S/C14H18N4O5S/c1-2-22-13(20)11-7-23-14(21)18(11)9-3-5-17(6-4-9)12(19)10-8-24-16-15-10/h8-9,11H,2-7H2,1H3
InChIKeyXOEQPXZRPNIRQC-UHFFFAOYSA-N
XLogP0.53
TPSA101.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3871192
ethyl 3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3805310
(4R)-4-benzyl-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 23991572
ethyl 3-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 4513296
ethyl (4S)-3-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 74226224
ethyl 2-oxo-3-[1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
CID 3700877
ethyl 2-oxo-3-[1-(2-pyrimidin-2-ylsulfanylacetyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
CID 3791424
ethyl (4S)-2-oxo-3-[1-(2-pyrimidin-2-ylsulfanylacetyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
CID 74229563
ethyl (3S)-1-(thiadiazole-4-carbonyl)piperidine-3-carboxylate
CID 81345352
ethyl (4S)-2-oxo-3-[1-[4-[(2-propan-2-ylsulfanylacetyl)amino]benzoyl]piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
CID 74228363
ethyl 3-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3682418
ethyl (4S)-3-[1-(5-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 74229185

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate?
The IUPAC name of ethyl 2-oxo-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate (CID 3816107) is ethyl 2-oxo-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for ethyl 2-oxo-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for ethyl 2-oxo-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate is CCOC(=O)C1COC(=O)N1C1CCN(C(=O)c2csnn2)CC1.
What is the InChIKey of ethyl 2-oxo-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate?
The InChIKey is XOEQPXZRPNIRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O5S/c1-2-22-13(20)11-7-23-14(21)18(11)9-3-5-17(6-4-9)12(19)10-8-24-16-15-10/h8-9,11H,2-7H2,1H3.
What are the key properties of ethyl 2-oxo-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate?
ethyl 2-oxo-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate has a molecular weight of 354.39 g/mol, XLogP of 0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-3-[1-(thiadiazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 3816107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).