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

C11H18N4O2S — CID 103363775

IUPACethyl 4-[(3-amino-1,2-thiazol-5-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cc(N)ns2)CC1
InChIInChI=1S/C11H18N4O2S/c1-2-17-11(16)15-5-3-8(4-6-15)13-10-7-9(12)14-18-10/h7-8,13H,2-6H2,1H3,(H2,12,14)
InChIKeyWJDWEPXXTDBAIW-UHFFFAOYSA-N
MW270.36 g/mol
LogP1.76
Rot. Bonds3

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

ethyl 4-[(3-amino-1,2-thiazol-5-yl)amino]piperidine-1-carboxylate (PubChem CID 103363775) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is ethyl 4-[(3-amino-1,2-thiazol-5-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-amino-1,2-thiazol-5-yl)amino]piperidine-1-carboxylate
PubChem CID103363775
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Nameethyl 4-[(3-amino-1,2-thiazol-5-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cc(N)ns2)CC1
InChIInChI=1S/C11H18N4O2S/c1-2-17-11(16)15-5-3-8(4-6-15)13-10-7-9(12)14-18-10/h7-8,13H,2-6H2,1H3,(H2,12,14)
InChIKeyWJDWEPXXTDBAIW-UHFFFAOYSA-N
XLogP1.76
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 60726756
ethyl 4-[[6-(cyclohexylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112856231
ethyl 4-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112862849
ethyl 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 62482125
ethyl 4-[(4-amino-1-methylpyrazol-3-yl)amino]piperidine-1-carboxylate
CID 103077884
ethyl 4-(1H-pyrazol-4-ylamino)piperidine-1-carboxylate
CID 43776811
ethyl 4-(4-chloroanilino)piperidine-1-carboxylate
CID 2846949
ethyl 4-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]piperidine-1-carboxylate
CID 43554079
ethyl 4-[[4-[(dimethylamino)methyl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 154752830
ethyl 4-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 105366689
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-amino-1,2-thiazol-5-yl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3-amino-1,2-thiazol-5-yl)amino]piperidine-1-carboxylate (CID 103363775) is ethyl 4-[(3-amino-1,2-thiazol-5-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3-amino-1,2-thiazol-5-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3-amino-1,2-thiazol-5-yl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2cc(N)ns2)CC1.
What is the InChIKey of ethyl 4-[(3-amino-1,2-thiazol-5-yl)amino]piperidine-1-carboxylate?
The InChIKey is WJDWEPXXTDBAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-2-17-11(16)15-5-3-8(4-6-15)13-10-7-9(12)14-18-10/h7-8,13H,2-6H2,1H3,(H2,12,14).
What are the key properties of ethyl 4-[(3-amino-1,2-thiazol-5-yl)amino]piperidine-1-carboxylate?
ethyl 4-[(3-amino-1,2-thiazol-5-yl)amino]piperidine-1-carboxylate has a molecular weight of 270.36 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-amino-1,2-thiazol-5-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 103363775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).