2-methyl-N-(2-methylpropyl)-1-(thiadiazole-4-carbonyl)azepane-2-carboxamide

C15H24N4O2S — CID 46944068

IUPAC2-methyl-N-(2-methylpropyl)-1-(thiadiazole-4-carbonyl)azepane-2-carboxamide
SMILESCC(C)CNC(=O)C1(C)CCCCCN1C(=O)c1csnn1
InChIInChI=1S/C15H24N4O2S/c1-11(2)9-16-14(21)15(3)7-5-4-6-8-19(15)13(20)12-10-22-18-17-12/h10-11H,4-9H2,1-3H3,(H,16,21)
InChIKeyWEBNFKXUCZFHRN-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.09
Rot. Bonds4

About 2-methyl-N-(2-methylpropyl)-1-(thiadiazole-4-carbonyl)azepane-2-carboxamide

2-methyl-N-(2-methylpropyl)-1-(thiadiazole-4-carbonyl)azepane-2-carboxamide (PubChem CID 46944068) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-1-(thiadiazole-4-carbonyl)azepane-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-1-(thiadiazole-4-carbonyl)azepane-2-carboxamide
PubChem CID46944068
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name2-methyl-N-(2-methylpropyl)-1-(thiadiazole-4-carbonyl)azepane-2-carboxamide
SMILESCC(C)CNC(=O)C1(C)CCCCCN1C(=O)c1csnn1
InChIInChI=1S/C15H24N4O2S/c1-11(2)9-16-14(21)15(3)7-5-4-6-8-19(15)13(20)12-10-22-18-17-12/h10-11H,4-9H2,1-3H3,(H,16,21)
InChIKeyWEBNFKXUCZFHRN-UHFFFAOYSA-N
XLogP2.09
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-1-(thiadiazole-4-carbonyl)azepane-2-carboxamide?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-1-(thiadiazole-4-carbonyl)azepane-2-carboxamide (CID 46944068) is 2-methyl-N-(2-methylpropyl)-1-(thiadiazole-4-carbonyl)azepane-2-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-1-(thiadiazole-4-carbonyl)azepane-2-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-1-(thiadiazole-4-carbonyl)azepane-2-carboxamide is CC(C)CNC(=O)C1(C)CCCCCN1C(=O)c1csnn1.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-1-(thiadiazole-4-carbonyl)azepane-2-carboxamide?
The InChIKey is WEBNFKXUCZFHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-11(2)9-16-14(21)15(3)7-5-4-6-8-19(15)13(20)12-10-22-18-17-12/h10-11H,4-9H2,1-3H3,(H,16,21).
What are the key properties of 2-methyl-N-(2-methylpropyl)-1-(thiadiazole-4-carbonyl)azepane-2-carboxamide?
2-methyl-N-(2-methylpropyl)-1-(thiadiazole-4-carbonyl)azepane-2-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-1-(thiadiazole-4-carbonyl)azepane-2-carboxamide is sourced from PubChem (CID 46944068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).