1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-N-methylpiperidine-2-carboxamide

C10H17N5OS — CID 80606198

IUPAC1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1Cc1nnc(N)s1
InChIInChI=1S/C10H17N5OS/c1-12-9(16)7-4-2-3-5-15(7)6-8-13-14-10(11)17-8/h7H,2-6H2,1H3,(H2,11,14)(H,12,16)
InChIKeyFEAQAXIMTKNYIE-UHFFFAOYSA-N
MW255.35 g/mol
LogP0.22
Rot. Bonds3

About 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-N-methylpiperidine-2-carboxamide

1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-N-methylpiperidine-2-carboxamide (PubChem CID 80606198) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-N-methylpiperidine-2-carboxamide
PubChem CID80606198
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC Name1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1Cc1nnc(N)s1
InChIInChI=1S/C10H17N5OS/c1-12-9(16)7-4-2-3-5-15(7)6-8-13-14-10(11)17-8/h7H,2-6H2,1H3,(H2,11,14)(H,12,16)
InChIKeyFEAQAXIMTKNYIE-UHFFFAOYSA-N
XLogP0.22
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-N-methylpiperidine-2-carboxamide (CID 80606198) is 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1Cc1nnc(N)s1.
What is the InChIKey of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is FEAQAXIMTKNYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5OS/c1-12-9(16)7-4-2-3-5-15(7)6-8-13-14-10(11)17-8/h7H,2-6H2,1H3,(H2,11,14)(H,12,16).
What are the key properties of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-N-methylpiperidine-2-carboxamide?
1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 255.35 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 80606198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).