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

C12H19N3O2S — CID 79772666

IUPACethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2cnc(N)s2)C1
InChIInChI=1S/C12H19N3O2S/c1-2-17-11(16)9-4-3-5-15(7-9)8-10-6-14-12(13)18-10/h6,9H,2-5,7-8H2,1H3,(H2,13,14)
InChIKeyAOCQQMATWOALRN-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.50
Rot. Bonds4

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

ethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylate (PubChem CID 79772666) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is ethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylate
PubChem CID79772666
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Nameethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2cnc(N)s2)C1
InChIInChI=1S/C12H19N3O2S/c1-2-17-11(16)9-4-3-5-15(7-9)8-10-6-14-12(13)18-10/h6,9H,2-5,7-8H2,1H3,(H2,13,14)
InChIKeyAOCQQMATWOALRN-UHFFFAOYSA-N
XLogP1.50
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 1-({2-[(methoxycarbonyl)amino]-1,3-thiazol-5-yl}methyl)piperidine-4-carboxylate
CID 718833
Ethyl 1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-3-carboxylate
CID 133521995
Ethyl 1-{[2-(dimethylamino)-1,3-thiazol-5-yl]methyl}-4-(2-methoxyethyl)-4-piperidinecarboxylate
CID 25380510
Ethyl 1-{[2-(acetylamino)-1,3-thiazol-5-yl]methyl}piperidine-4-carboxylate
CID 670485
1-(2-Amino-thiazol-5-ylmethyl)-piperidine-4-carboxylic acid ethyl ester
CID 59610045
Ethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylate
CID 79771838
[1-[2-(Diaminomethylideneamino)-1,3-thiazole-5-carbonyl]piperidin-3-yl]methyl ethaneperoxoate
CID 150020350
Ethyl 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylate
CID 163368405
Lithium 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylate
CID 163368408
Ethyl 1-[[2-(prop-2-enoylamino)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylate
CID 175454227
Lithium 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-4-carboxylate
CID 175454245
Lithium 2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetate
CID 175454252

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylate (CID 79772666) is ethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(Cc2cnc(N)s2)C1.
What is the InChIKey of ethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylate?
The InChIKey is AOCQQMATWOALRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-2-17-11(16)9-4-3-5-15(7-9)8-10-6-14-12(13)18-10/h6,9H,2-5,7-8H2,1H3,(H2,13,14).
What are the key properties of ethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylate?
ethyl 1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylate has a molecular weight of 269.37 g/mol, XLogP of 1.50, 4 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-thiazol-5-yl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 79772666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).