3-propan-2-yl-1,2,4-thiadiazole-5-carboxamide

C6H9N3OS — CID 68757895

IUPAC3-propan-2-yl-1,2,4-thiadiazole-5-carboxamide
SMILESCC(C)c1nsc(C(N)=O)n1
InChIInChI=1S/C6H9N3OS/c1-3(2)5-8-6(4(7)10)11-9-5/h3H,1-2H3,(H2,7,10)
InChIKeyIJVAASBJIGAXMK-UHFFFAOYSA-N
MW171.22 g/mol
LogP0.76
Rot. Bonds2

About 3-propan-2-yl-1,2,4-thiadiazole-5-carboxamide

3-propan-2-yl-1,2,4-thiadiazole-5-carboxamide (PubChem CID 68757895) has the molecular formula C6H9N3OS and a molecular weight of 171.22 g/mol. Its IUPAC name is 3-propan-2-yl-1,2,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound Name3-propan-2-yl-1,2,4-thiadiazole-5-carboxamide
PubChem CID68757895
Molecular FormulaC6H9N3OS
Molecular Weight171.22 g/mol
Exact Mass171.05
IUPAC Name3-propan-2-yl-1,2,4-thiadiazole-5-carboxamide
SMILESCC(C)c1nsc(C(N)=O)n1
InChIInChI=1S/C6H9N3OS/c1-3(2)5-8-6(4(7)10)11-9-5/h3H,1-2H3,(H2,7,10)
InChIKeyIJVAASBJIGAXMK-UHFFFAOYSA-N
XLogP0.76
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,2,4-thiadiazole-5-carboxamide?
The IUPAC name of 3-propan-2-yl-1,2,4-thiadiazole-5-carboxamide (CID 68757895) is 3-propan-2-yl-1,2,4-thiadiazole-5-carboxamide.
What is the SMILES notation for 3-propan-2-yl-1,2,4-thiadiazole-5-carboxamide?
The canonical SMILES for 3-propan-2-yl-1,2,4-thiadiazole-5-carboxamide is CC(C)c1nsc(C(N)=O)n1.
What is the InChIKey of 3-propan-2-yl-1,2,4-thiadiazole-5-carboxamide?
The InChIKey is IJVAASBJIGAXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c1-3(2)5-8-6(4(7)10)11-9-5/h3H,1-2H3,(H2,7,10).
What are the key properties of 3-propan-2-yl-1,2,4-thiadiazole-5-carboxamide?
3-propan-2-yl-1,2,4-thiadiazole-5-carboxamide has a molecular weight of 171.22 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,2,4-thiadiazole-5-carboxamide is sourced from PubChem (CID 68757895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).