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

C10H17N5O2S — CID 66279425

IUPACethyl 4-[(3-amino-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nc(N)ns2)CC1
InChIInChI=1S/C10H17N5O2S/c1-2-17-10(16)15-5-3-7(4-6-15)12-9-13-8(11)14-18-9/h7H,2-6H2,1H3,(H3,11,12,13,14)
InChIKeyYSCPTFLCMNXIHA-UHFFFAOYSA-N
MW271.35 g/mol
LogP1.15
Rot. Bonds3

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

ethyl 4-[(3-amino-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate (PubChem CID 66279425) has the molecular formula C10H17N5O2S and a molecular weight of 271.35 g/mol. Its IUPAC name is ethyl 4-[(3-amino-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-amino-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate
PubChem CID66279425
Molecular FormulaC10H17N5O2S
Molecular Weight271.35 g/mol
Exact Mass271.11
IUPAC Nameethyl 4-[(3-amino-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nc(N)ns2)CC1
InChIInChI=1S/C10H17N5O2S/c1-2-17-10(16)15-5-3-7(4-6-15)12-9-13-8(11)14-18-9/h7H,2-6H2,1H3,(H3,11,12,13,14)
InChIKeyYSCPTFLCMNXIHA-UHFFFAOYSA-N
XLogP1.15
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-amino-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3-amino-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate (CID 66279425) is ethyl 4-[(3-amino-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3-amino-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3-amino-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2nc(N)ns2)CC1.
What is the InChIKey of ethyl 4-[(3-amino-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate?
The InChIKey is YSCPTFLCMNXIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2S/c1-2-17-10(16)15-5-3-7(4-6-15)12-9-13-8(11)14-18-9/h7H,2-6H2,1H3,(H3,11,12,13,14).
What are the key properties of ethyl 4-[(3-amino-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate?
ethyl 4-[(3-amino-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate has a molecular weight of 271.35 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-amino-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 66279425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).