1-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperidine-4-carboxamide

C10H14N4O2S — CID 71807115

IUPAC1-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperidine-4-carboxamide
SMILESCc1nsc(C(=O)N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C10H14N4O2S/c1-6-12-9(17-13-6)10(16)14-4-2-7(3-5-14)8(11)15/h7H,2-5H2,1H3,(H2,11,15)
InChIKeyPOSUXXXSJGZCTM-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.18
Rot. Bonds2

About 1-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperidine-4-carboxamide

1-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperidine-4-carboxamide (PubChem CID 71807115) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 1-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperidine-4-carboxamide
PubChem CID71807115
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name1-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperidine-4-carboxamide
SMILESCc1nsc(C(=O)N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C10H14N4O2S/c1-6-12-9(17-13-6)10(16)14-4-2-7(3-5-14)8(11)15/h7H,2-5H2,1H3,(H2,11,15)
InChIKeyPOSUXXXSJGZCTM-UHFFFAOYSA-N
XLogP0.18
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperidine-4-carboxamide (CID 71807115) is 1-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperidine-4-carboxamide is Cc1nsc(C(=O)N2CCC(C(N)=O)CC2)n1.
What is the InChIKey of 1-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperidine-4-carboxamide?
The InChIKey is POSUXXXSJGZCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-6-12-9(17-13-6)10(16)14-4-2-7(3-5-14)8(11)15/h7H,2-5H2,1H3,(H2,11,15).
What are the key properties of 1-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperidine-4-carboxamide?
1-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperidine-4-carboxamide has a molecular weight of 254.31 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2,4-thiadiazole-5-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 71807115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).