N-(2-aminoethyl)-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-3-carboxamide

C11H18ClN5OS — CID 63252974

IUPACN-(2-aminoethyl)-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(Cc2nnsc2Cl)C1
InChIInChI=1S/C11H18ClN5OS/c12-10-9(15-16-19-10)7-17-5-1-2-8(6-17)11(18)14-4-3-13/h8H,1-7,13H2,(H,14,18)
InChIKeyIYBAMOACTJXAQL-UHFFFAOYSA-N
MW303.82 g/mol
LogP0.48
Rot. Bonds5

About N-(2-aminoethyl)-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 63252974) has the molecular formula C11H18ClN5OS and a molecular weight of 303.82 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-3-carboxamide
PubChem CID63252974
Molecular FormulaC11H18ClN5OS
Molecular Weight303.82 g/mol
Exact Mass303.09
IUPAC NameN-(2-aminoethyl)-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(Cc2nnsc2Cl)C1
InChIInChI=1S/C11H18ClN5OS/c12-10-9(15-16-19-10)7-17-5-1-2-8(6-17)11(18)14-4-3-13/h8H,1-7,13H2,(H,14,18)
InChIKeyIYBAMOACTJXAQL-UHFFFAOYSA-N
XLogP0.48
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-3-carboxamide (CID 63252974) is N-(2-aminoethyl)-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-3-carboxamide is NCCNC(=O)C1CCCN(Cc2nnsc2Cl)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is IYBAMOACTJXAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5OS/c12-10-9(15-16-19-10)7-17-5-1-2-8(6-17)11(18)14-4-3-13/h8H,1-7,13H2,(H,14,18).
What are the key properties of N-(2-aminoethyl)-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 303.82 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[(5-chlorothiadiazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 63252974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).