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

C9H15N5OS — CID 62178400

IUPAC1-[(5-aminothiadiazol-4-yl)methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2nnsc2N)C1
InChIInChI=1S/C9H15N5OS/c10-8(15)6-2-1-3-14(4-6)5-7-9(11)16-13-12-7/h6H,1-5,11H2,(H2,10,15)
InChIKeyCBLJNENYJCLMON-UHFFFAOYSA-N
MW241.32 g/mol
LogP-0.18
Rot. Bonds3

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

1-[(5-aminothiadiazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 62178400) has the molecular formula C9H15N5OS and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-[(5-aminothiadiazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(5-aminothiadiazol-4-yl)methyl]piperidine-3-carboxamide
PubChem CID62178400
Molecular FormulaC9H15N5OS
Molecular Weight241.32 g/mol
Exact Mass241.10
IUPAC Name1-[(5-aminothiadiazol-4-yl)methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2nnsc2N)C1
InChIInChI=1S/C9H15N5OS/c10-8(15)6-2-1-3-14(4-6)5-7-9(11)16-13-12-7/h6H,1-5,11H2,(H2,10,15)
InChIKeyCBLJNENYJCLMON-UHFFFAOYSA-N
XLogP-0.18
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-aminothiadiazol-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(5-aminothiadiazol-4-yl)methyl]piperidine-3-carboxamide (CID 62178400) is 1-[(5-aminothiadiazol-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(5-aminothiadiazol-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(5-aminothiadiazol-4-yl)methyl]piperidine-3-carboxamide is NC(=O)C1CCCN(Cc2nnsc2N)C1.
What is the InChIKey of 1-[(5-aminothiadiazol-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is CBLJNENYJCLMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5OS/c10-8(15)6-2-1-3-14(4-6)5-7-9(11)16-13-12-7/h6H,1-5,11H2,(H2,10,15).
What are the key properties of 1-[(5-aminothiadiazol-4-yl)methyl]piperidine-3-carboxamide?
1-[(5-aminothiadiazol-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 241.32 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-aminothiadiazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 62178400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).