N-(3-oxobutan-2-yl)thiadiazole-5-carboxamide

C7H9N3O2S — CID 65215720

IUPACN-(3-oxobutan-2-yl)thiadiazole-5-carboxamide
SMILESCC(=O)C(C)NC(=O)c1cnns1
InChIInChI=1S/C7H9N3O2S/c1-4(5(2)11)9-7(12)6-3-8-10-13-6/h3-4H,1-2H3,(H,9,12)
InChIKeyIYZYAAQANVWMDR-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.25
Rot. Bonds3

About N-(3-oxobutan-2-yl)thiadiazole-5-carboxamide

N-(3-oxobutan-2-yl)thiadiazole-5-carboxamide (PubChem CID 65215720) has the molecular formula C7H9N3O2S and a molecular weight of 199.23 g/mol. Its IUPAC name is N-(3-oxobutan-2-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-oxobutan-2-yl)thiadiazole-5-carboxamide
PubChem CID65215720
Molecular FormulaC7H9N3O2S
Molecular Weight199.23 g/mol
Exact Mass199.04
IUPAC NameN-(3-oxobutan-2-yl)thiadiazole-5-carboxamide
SMILESCC(=O)C(C)NC(=O)c1cnns1
InChIInChI=1S/C7H9N3O2S/c1-4(5(2)11)9-7(12)6-3-8-10-13-6/h3-4H,1-2H3,(H,9,12)
InChIKeyIYZYAAQANVWMDR-UHFFFAOYSA-N
XLogP0.25
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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-(3-oxobutan-2-yl)thiadiazole-5-carboxamide?
The IUPAC name of N-(3-oxobutan-2-yl)thiadiazole-5-carboxamide (CID 65215720) is N-(3-oxobutan-2-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-oxobutan-2-yl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(3-oxobutan-2-yl)thiadiazole-5-carboxamide is CC(=O)C(C)NC(=O)c1cnns1.
What is the InChIKey of N-(3-oxobutan-2-yl)thiadiazole-5-carboxamide?
The InChIKey is IYZYAAQANVWMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S/c1-4(5(2)11)9-7(12)6-3-8-10-13-6/h3-4H,1-2H3,(H,9,12).
What are the key properties of N-(3-oxobutan-2-yl)thiadiazole-5-carboxamide?
N-(3-oxobutan-2-yl)thiadiazole-5-carboxamide has a molecular weight of 199.23 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxobutan-2-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 65215720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).