ethyl 1-[(5-aminothiadiazol-4-yl)methyl]piperidine-3-carboxylate

C11H18N4O2S — CID 62176464

IUPACethyl 1-[(5-aminothiadiazol-4-yl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2nnsc2N)C1
InChIInChI=1S/C11H18N4O2S/c1-2-17-11(16)8-4-3-5-15(6-8)7-9-10(12)18-14-13-9/h8H,2-7,12H2,1H3
InChIKeyKTCINXQUVMZZKY-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.90
Rot. Bonds4

About ethyl 1-[(5-aminothiadiazol-4-yl)methyl]piperidine-3-carboxylate

ethyl 1-[(5-aminothiadiazol-4-yl)methyl]piperidine-3-carboxylate (PubChem CID 62176464) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is ethyl 1-[(5-aminothiadiazol-4-yl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(5-aminothiadiazol-4-yl)methyl]piperidine-3-carboxylate
PubChem CID62176464
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Nameethyl 1-[(5-aminothiadiazol-4-yl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2nnsc2N)C1
InChIInChI=1S/C11H18N4O2S/c1-2-17-11(16)8-4-3-5-15(6-8)7-9-10(12)18-14-13-9/h8H,2-7,12H2,1H3
InChIKeyKTCINXQUVMZZKY-UHFFFAOYSA-N
XLogP0.90
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl (3R)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-3-carboxylate
CID 81361290
4-(piperidin-1-ylmethyl)thiadiazol-5-amine
CID 62184620
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
ethyl (3R)-1-(cyclopropylmethyl)piperidine-3-carboxylate
CID 81338188
ethyl (3S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylate
CID 81339167
ethyl (3S)-1-[(5-bromo-1,3-thiazol-2-yl)methyl]piperidine-3-carboxylate
CID 129350627
ethyl 1-[(4-chlorophenyl)methyl]piperidine-3-carboxylate
CID 2838484
ethyl (3R)-1-[(4-hydroxyphenyl)methyl]piperidine-3-carboxylate
CID 764762
ethyl (3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylate
CID 42574885
ethyl 1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylate
CID 25247693
ethyl (3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxylate
CID 81338403
ethyl (3R)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 81338191

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(5-aminothiadiazol-4-yl)methyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[(5-aminothiadiazol-4-yl)methyl]piperidine-3-carboxylate (CID 62176464) is ethyl 1-[(5-aminothiadiazol-4-yl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(5-aminothiadiazol-4-yl)methyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[(5-aminothiadiazol-4-yl)methyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(Cc2nnsc2N)C1.
What is the InChIKey of ethyl 1-[(5-aminothiadiazol-4-yl)methyl]piperidine-3-carboxylate?
The InChIKey is KTCINXQUVMZZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-2-17-11(16)8-4-3-5-15(6-8)7-9-10(12)18-14-13-9/h8H,2-7,12H2,1H3.
What are the key properties of ethyl 1-[(5-aminothiadiazol-4-yl)methyl]piperidine-3-carboxylate?
ethyl 1-[(5-aminothiadiazol-4-yl)methyl]piperidine-3-carboxylate has a molecular weight of 270.36 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(5-aminothiadiazol-4-yl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 62176464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).