ethyl 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate

C14H21N3O3S — CID 670485

IUPACethyl 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cnc(NC(C)=O)s2)CC1
InChIInChI=1S/C14H21N3O3S/c1-3-20-13(19)11-4-6-17(7-5-11)9-12-8-15-14(21-12)16-10(2)18/h8,11H,3-7,9H2,1-2H3,(H,15,16,18)
InChIKeyRYDMBHSDPORETC-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.88
Rot. Bonds5

About ethyl 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate

ethyl 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate (PubChem CID 670485) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is ethyl 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate
PubChem CID670485
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Nameethyl 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2cnc(NC(C)=O)s2)CC1
InChIInChI=1S/C14H21N3O3S/c1-3-20-13(19)11-4-6-17(7-5-11)9-12-8-15-14(21-12)16-10(2)18/h8,11H,3-7,9H2,1-2H3,(H,15,16,18)
InChIKeyRYDMBHSDPORETC-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(1-piperidinylmethyl)-1,3-thiazol-2-yl]acetamide
CID 314318
Methyl 5-(1-piperidinylmethyl)-1,3-thiazol-2-ylcarbamate
CID 822777
Ethyl 1-({2-[(methoxycarbonyl)amino]-1,3-thiazol-5-yl}methyl)piperidine-4-carboxylate
CID 718833
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-cyclohexylpiperidine-4-carboxamide
CID 163368433
N-{5-[(4-methylpiperidyl)methyl]-1,3-thiazol-2-yl}acetamide
CID 671270
N-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 686432
N-(5-methyl-1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 45824857
Carbamic acid, [5-[(4-methyl-1-piperidinyl)methyl]-2-thiazolyl]-, methyl ester
CID 1258070
N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 18072746
Ethyl 4-((5-methylthiazol-2-yl)amino)-4-oxobutanoate
CID 33178147
2,2,2-Trifluoroethyl 4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 46680429
Ethyl 1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-4-carboxylate
CID 133521963

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate (CID 670485) is ethyl 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2cnc(NC(C)=O)s2)CC1.
What is the InChIKey of ethyl 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate?
The InChIKey is RYDMBHSDPORETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-3-20-13(19)11-4-6-17(7-5-11)9-12-8-15-14(21-12)16-10(2)18/h8,11H,3-7,9H2,1-2H3,(H,15,16,18).
What are the key properties of ethyl 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate?
ethyl 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate has a molecular weight of 311.41 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 670485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).