ethyl 1-(2-amino-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate

C12H17N3O3S — CID 62788546

IUPACethyl 1-(2-amino-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2csc(N)n2)CC1
InChIInChI=1S/C12H17N3O3S/c1-2-18-11(17)8-3-5-15(6-4-8)10(16)9-7-19-12(13)14-9/h7-8H,2-6H2,1H3,(H2,13,14)
InChIKeyZIYQOPUXSLKRHF-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.14
Rot. Bonds3

About ethyl 1-(2-amino-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate

ethyl 1-(2-amino-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate (PubChem CID 62788546) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is ethyl 1-(2-amino-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-amino-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate
PubChem CID62788546
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Nameethyl 1-(2-amino-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2csc(N)n2)CC1
InChIInChI=1S/C12H17N3O3S/c1-2-18-11(17)8-3-5-15(6-4-8)10(16)9-7-19-12(13)14-9/h7-8H,2-6H2,1H3,(H2,13,14)
InChIKeyZIYQOPUXSLKRHF-UHFFFAOYSA-N
XLogP1.14
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[2-(4-methylanilino)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
CID 3974706
ethyl 1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate
CID 35512800
(2-amino-1,3-thiazol-4-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone
CID 62788073
(2-amino-1,3-thiazol-4-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977856
ethyl 1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
CID 36710487
prop-2-ynyl 4-[4-(4-ethoxycarbonylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 3691311
ethyl 1-[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
CID 90509948
ethyl 1-(6-bromopyridine-2-carbonyl)piperidine-4-carboxylate
CID 103874990
(2-amino-1,3-thiazol-4-yl)-(azepan-1-yl)methanone
CID 62793149
[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 62787370
ethyl 1-(6-methoxypyridine-2-carbonyl)piperidine-4-carboxylate
CID 84580551
[1-(2-amino-1,3-thiazole-4-carbonyl)piperidin-4-yl]carbamic acid
CID 134208778

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-amino-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-amino-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate (CID 62788546) is ethyl 1-(2-amino-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-amino-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-amino-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2csc(N)n2)CC1.
What is the InChIKey of ethyl 1-(2-amino-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate?
The InChIKey is ZIYQOPUXSLKRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-2-18-11(17)8-3-5-15(6-4-8)10(16)9-7-19-12(13)14-9/h7-8H,2-6H2,1H3,(H2,13,14).
What are the key properties of ethyl 1-(2-amino-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate?
ethyl 1-(2-amino-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate has a molecular weight of 283.35 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-amino-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 62788546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).