N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thiadiazole-5-carboxamide

C9H12N4OS — CID 114693928

IUPACN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thiadiazole-5-carboxamide
SMILESO=C(NCC1=CCNCC1)c1cnns1
InChIInChI=1S/C9H12N4OS/c14-9(8-6-12-13-15-8)11-5-7-1-3-10-4-2-7/h1,6,10H,2-5H2,(H,11,14)
InChIKeyZAIHBKNVHGZHIW-UHFFFAOYSA-N
MW224.29 g/mol
LogP0.19
Rot. Bonds3

About N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thiadiazole-5-carboxamide

N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thiadiazole-5-carboxamide (PubChem CID 114693928) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thiadiazole-5-carboxamide
PubChem CID114693928
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thiadiazole-5-carboxamide
SMILESO=C(NCC1=CCNCC1)c1cnns1
InChIInChI=1S/C9H12N4OS/c14-9(8-6-12-13-15-8)11-5-7-1-3-10-4-2-7/h1,6,10H,2-5H2,(H,11,14)
InChIKeyZAIHBKNVHGZHIW-UHFFFAOYSA-N
XLogP0.19
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thiadiazole-5-carboxamide (CID 114693928) is N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thiadiazole-5-carboxamide is O=C(NCC1=CCNCC1)c1cnns1.
What is the InChIKey of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thiadiazole-5-carboxamide?
The InChIKey is ZAIHBKNVHGZHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c14-9(8-6-12-13-15-8)11-5-7-1-3-10-4-2-7/h1,6,10H,2-5H2,(H,11,14).
What are the key properties of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thiadiazole-5-carboxamide?
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thiadiazole-5-carboxamide has a molecular weight of 224.29 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 114693928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).