5-acetamido-N-cyclohexylthiadiazole-4-carboxamide

C11H16N4O2S — CID 1498985

IUPAC5-acetamido-N-cyclohexylthiadiazole-4-carboxamide
SMILESCC(=O)Nc1snnc1C(=O)NC1CCCCC1
InChIInChI=1S/C11H16N4O2S/c1-7(16)12-11-9(14-15-18-11)10(17)13-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,12,16)(H,13,17)
InChIKeyLHQVSDSAZPDWGR-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.56
Rot. Bonds3

About 5-acetamido-N-cyclohexylthiadiazole-4-carboxamide

5-acetamido-N-cyclohexylthiadiazole-4-carboxamide (PubChem CID 1498985) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 5-acetamido-N-cyclohexylthiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-cyclohexylthiadiazole-4-carboxamide
PubChem CID1498985
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name5-acetamido-N-cyclohexylthiadiazole-4-carboxamide
SMILESCC(=O)Nc1snnc1C(=O)NC1CCCCC1
InChIInChI=1S/C11H16N4O2S/c1-7(16)12-11-9(14-15-18-11)10(17)13-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,12,16)(H,13,17)
InChIKeyLHQVSDSAZPDWGR-UHFFFAOYSA-N
XLogP1.56
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-cyclohexylthiadiazole-4-carboxamide?
The IUPAC name of 5-acetamido-N-cyclohexylthiadiazole-4-carboxamide (CID 1498985) is 5-acetamido-N-cyclohexylthiadiazole-4-carboxamide.
What is the SMILES notation for 5-acetamido-N-cyclohexylthiadiazole-4-carboxamide?
The canonical SMILES for 5-acetamido-N-cyclohexylthiadiazole-4-carboxamide is CC(=O)Nc1snnc1C(=O)NC1CCCCC1.
What is the InChIKey of 5-acetamido-N-cyclohexylthiadiazole-4-carboxamide?
The InChIKey is LHQVSDSAZPDWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-7(16)12-11-9(14-15-18-11)10(17)13-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,12,16)(H,13,17).
What are the key properties of 5-acetamido-N-cyclohexylthiadiazole-4-carboxamide?
5-acetamido-N-cyclohexylthiadiazole-4-carboxamide has a molecular weight of 268.34 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-cyclohexylthiadiazole-4-carboxamide is sourced from PubChem (CID 1498985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).