N-(2-oxobutyl)thiadiazole-4-carboxamide

C7H9N3O2S — CID 89020201

IUPACN-(2-oxobutyl)thiadiazole-4-carboxamide
SMILESCCC(=O)CNC(=O)c1csnn1
InChIInChI=1S/C7H9N3O2S/c1-2-5(11)3-8-7(12)6-4-13-10-9-6/h4H,2-3H2,1H3,(H,8,12)
InChIKeySLNZJAHBXOHEKO-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.25
Rot. Bonds4

About N-(2-oxobutyl)thiadiazole-4-carboxamide

N-(2-oxobutyl)thiadiazole-4-carboxamide (PubChem CID 89020201) has the molecular formula C7H9N3O2S and a molecular weight of 199.23 g/mol. Its IUPAC name is N-(2-oxobutyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-oxobutyl)thiadiazole-4-carboxamide
PubChem CID89020201
Molecular FormulaC7H9N3O2S
Molecular Weight199.23 g/mol
Exact Mass199.04
IUPAC NameN-(2-oxobutyl)thiadiazole-4-carboxamide
SMILESCCC(=O)CNC(=O)c1csnn1
InChIInChI=1S/C7H9N3O2S/c1-2-5(11)3-8-7(12)6-4-13-10-9-6/h4H,2-3H2,1H3,(H,8,12)
InChIKeySLNZJAHBXOHEKO-UHFFFAOYSA-N
XLogP0.25
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxobutyl)thiadiazole-4-carboxamide?
The IUPAC name of N-(2-oxobutyl)thiadiazole-4-carboxamide (CID 89020201) is N-(2-oxobutyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(2-oxobutyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-(2-oxobutyl)thiadiazole-4-carboxamide is CCC(=O)CNC(=O)c1csnn1.
What is the InChIKey of N-(2-oxobutyl)thiadiazole-4-carboxamide?
The InChIKey is SLNZJAHBXOHEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S/c1-2-5(11)3-8-7(12)6-4-13-10-9-6/h4H,2-3H2,1H3,(H,8,12).
What are the key properties of N-(2-oxobutyl)thiadiazole-4-carboxamide?
N-(2-oxobutyl)thiadiazole-4-carboxamide has a molecular weight of 199.23 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxobutyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 89020201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).