ethyl 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylate

C14H21N3O3S — CID 78915205

IUPACethyl 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1CC(=O)Nc1nc(C)cs1
InChIInChI=1S/C14H21N3O3S/c1-3-20-13(19)11-6-4-5-7-17(11)8-12(18)16-14-15-10(2)9-21-14/h9,11H,3-8H2,1-2H3,(H,15,16,18)
InChIKeyIKEBPMLSLYIASW-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.81
Rot. Bonds5

About ethyl 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylate

ethyl 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylate (PubChem CID 78915205) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is ethyl 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylate
PubChem CID78915205
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Nameethyl 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1CC(=O)Nc1nc(C)cs1
InChIInChI=1S/C14H21N3O3S/c1-3-20-13(19)11-6-4-5-7-17(11)8-12(18)16-14-15-10(2)9-21-14/h9,11H,3-8H2,1-2H3,(H,15,16,18)
InChIKeyIKEBPMLSLYIASW-UHFFFAOYSA-N
XLogP1.81
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 41313078
ethyl 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 78915718
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 60690531
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 115963601
methyl (2R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-2-carboxylate
CID 79833913
2-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 95750486
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 63596576
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 103441898
2-(3-aminopiperidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119910055
2-[2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 47078017
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119905232
ethyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62028753

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylate (CID 78915205) is ethyl 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1CC(=O)Nc1nc(C)cs1.
What is the InChIKey of ethyl 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylate?
The InChIKey is IKEBPMLSLYIASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-3-20-13(19)11-6-4-5-7-17(11)8-12(18)16-14-15-10(2)9-21-14/h9,11H,3-8H2,1-2H3,(H,15,16,18).
What are the key properties of ethyl 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylate?
ethyl 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylate has a molecular weight of 311.41 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylate is sourced from PubChem (CID 78915205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).