ethyl 5-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxylate

C16H25N5O3S — CID 43819234

IUPACethyl 5-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxylate
SMILESCCOC(=O)c1nnsc1NC(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C16H25N5O3S/c1-2-24-15(22)13-14(25-19-18-13)17-16(23)21-10-6-12(7-11-21)20-8-4-3-5-9-20/h12H,2-11H2,1H3,(H,17,23)
InChIKeyHXEHDDQYRUGGAF-UHFFFAOYSA-N
MW367.48 g/mol
LogP2.20
Rot. Bonds4

About ethyl 5-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxylate

ethyl 5-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxylate (PubChem CID 43819234) has the molecular formula C16H25N5O3S and a molecular weight of 367.48 g/mol. Its IUPAC name is ethyl 5-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxylate
PubChem CID43819234
Molecular FormulaC16H25N5O3S
Molecular Weight367.48 g/mol
Exact Mass367.17
IUPAC Nameethyl 5-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxylate
SMILESCCOC(=O)c1nnsc1NC(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C16H25N5O3S/c1-2-24-15(22)13-14(25-19-18-13)17-16(23)21-10-6-12(7-11-21)20-8-4-3-5-9-20/h12H,2-11H2,1H3,(H,17,23)
InChIKeyHXEHDDQYRUGGAF-UHFFFAOYSA-N
XLogP2.20
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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ethyl 5-methyl-2-(piperidine-1-carbonylamino)thiophene-3-carboxylate
CID 79155647
ethyl 5-[(4-fluoro-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiadiazole-4-carboxylate
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N-chloro-4-piperidin-1-ylpiperidine-1-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxylate?
The IUPAC name of ethyl 5-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxylate (CID 43819234) is ethyl 5-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxylate is CCOC(=O)c1nnsc1NC(=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of ethyl 5-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxylate?
The InChIKey is HXEHDDQYRUGGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3S/c1-2-24-15(22)13-14(25-19-18-13)17-16(23)21-10-6-12(7-11-21)20-8-4-3-5-9-20/h12H,2-11H2,1H3,(H,17,23).
What are the key properties of ethyl 5-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxylate?
ethyl 5-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxylate has a molecular weight of 367.48 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-piperidin-1-ylpiperidine-1-carbonyl)amino]thiadiazole-4-carboxylate is sourced from PubChem (CID 43819234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).