4-methyl-N-(5-oxopyrrolidin-3-yl)thiadiazole-5-carboxamide

C8H10N4O2S — CID 56765677

IUPAC4-methyl-N-(5-oxopyrrolidin-3-yl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC1CNC(=O)C1
InChIInChI=1S/C8H10N4O2S/c1-4-7(15-12-11-4)8(14)10-5-2-6(13)9-3-5/h5H,2-3H2,1H3,(H,9,13)(H,10,14)
InChIKeySXPAFAVEEQBIRC-UHFFFAOYSA-N
MW226.26 g/mol
LogP-0.54
Rot. Bonds2

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

4-methyl-N-(5-oxopyrrolidin-3-yl)thiadiazole-5-carboxamide (PubChem CID 56765677) has the molecular formula C8H10N4O2S and a molecular weight of 226.26 g/mol. Its IUPAC name is 4-methyl-N-(5-oxopyrrolidin-3-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(5-oxopyrrolidin-3-yl)thiadiazole-5-carboxamide
PubChem CID56765677
Molecular FormulaC8H10N4O2S
Molecular Weight226.26 g/mol
Exact Mass226.05
IUPAC Name4-methyl-N-(5-oxopyrrolidin-3-yl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC1CNC(=O)C1
InChIInChI=1S/C8H10N4O2S/c1-4-7(15-12-11-4)8(14)10-5-2-6(13)9-3-5/h5H,2-3H2,1H3,(H,9,13)(H,10,14)
InChIKeySXPAFAVEEQBIRC-UHFFFAOYSA-N
XLogP-0.54
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(5-oxopyrrolidin-3-yl)thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(5-oxopyrrolidin-3-yl)thiadiazole-5-carboxamide (CID 56765677) is 4-methyl-N-(5-oxopyrrolidin-3-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(5-oxopyrrolidin-3-yl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(5-oxopyrrolidin-3-yl)thiadiazole-5-carboxamide is Cc1nnsc1C(=O)NC1CNC(=O)C1.
What is the InChIKey of 4-methyl-N-(5-oxopyrrolidin-3-yl)thiadiazole-5-carboxamide?
The InChIKey is SXPAFAVEEQBIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2S/c1-4-7(15-12-11-4)8(14)10-5-2-6(13)9-3-5/h5H,2-3H2,1H3,(H,9,13)(H,10,14).
What are the key properties of 4-methyl-N-(5-oxopyrrolidin-3-yl)thiadiazole-5-carboxamide?
4-methyl-N-(5-oxopyrrolidin-3-yl)thiadiazole-5-carboxamide has a molecular weight of 226.26 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(5-oxopyrrolidin-3-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 56765677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).