4-methyl-N-(2-oxoazepan-3-yl)thiadiazole-5-carboxamide

C10H14N4O2S — CID 2813199

IUPAC4-methyl-N-(2-oxoazepan-3-yl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC1CCCCNC1=O
InChIInChI=1S/C10H14N4O2S/c1-6-8(17-14-13-6)10(16)12-7-4-2-3-5-11-9(7)15/h7H,2-5H2,1H3,(H,11,15)(H,12,16)
InChIKeyJGKKARBQWDZSOP-UHFFFAOYSA-N
MW254.31 g/mol
LogP0.25
Rot. Bonds2

About 4-methyl-N-(2-oxoazepan-3-yl)thiadiazole-5-carboxamide

4-methyl-N-(2-oxoazepan-3-yl)thiadiazole-5-carboxamide (PubChem CID 2813199) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-methyl-N-(2-oxoazepan-3-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-oxoazepan-3-yl)thiadiazole-5-carboxamide
PubChem CID2813199
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name4-methyl-N-(2-oxoazepan-3-yl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC1CCCCNC1=O
InChIInChI=1S/C10H14N4O2S/c1-6-8(17-14-13-6)10(16)12-7-4-2-3-5-11-9(7)15/h7H,2-5H2,1H3,(H,11,15)(H,12,16)
InChIKeyJGKKARBQWDZSOP-UHFFFAOYSA-N
XLogP0.25
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-oxoazepan-3-yl)thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(2-oxoazepan-3-yl)thiadiazole-5-carboxamide (CID 2813199) is 4-methyl-N-(2-oxoazepan-3-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-oxoazepan-3-yl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(2-oxoazepan-3-yl)thiadiazole-5-carboxamide is Cc1nnsc1C(=O)NC1CCCCNC1=O.
What is the InChIKey of 4-methyl-N-(2-oxoazepan-3-yl)thiadiazole-5-carboxamide?
The InChIKey is JGKKARBQWDZSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-6-8(17-14-13-6)10(16)12-7-4-2-3-5-11-9(7)15/h7H,2-5H2,1H3,(H,11,15)(H,12,16).
What are the key properties of 4-methyl-N-(2-oxoazepan-3-yl)thiadiazole-5-carboxamide?
4-methyl-N-(2-oxoazepan-3-yl)thiadiazole-5-carboxamide has a molecular weight of 254.31 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-oxoazepan-3-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 2813199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).