5-[2-methyl-4-(propylamino)butan-2-yl]-1,3,4-thiadiazole-2-carboxamide

C11H20N4OS — CID 68832727

IUPAC5-[2-methyl-4-(propylamino)butan-2-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNCCC(C)(C)c1nnc(C(N)=O)s1
InChIInChI=1S/C11H20N4OS/c1-4-6-13-7-5-11(2,3)10-15-14-9(17-10)8(12)16/h13H,4-7H2,1-3H3,(H2,12,16)
InChIKeyQGQMYUVFOPJSQO-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.30
Rot. Bonds7

About 5-[2-methyl-4-(propylamino)butan-2-yl]-1,3,4-thiadiazole-2-carboxamide

5-[2-methyl-4-(propylamino)butan-2-yl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 68832727) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 5-[2-methyl-4-(propylamino)butan-2-yl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[2-methyl-4-(propylamino)butan-2-yl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID68832727
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name5-[2-methyl-4-(propylamino)butan-2-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCCNCCC(C)(C)c1nnc(C(N)=O)s1
InChIInChI=1S/C11H20N4OS/c1-4-6-13-7-5-11(2,3)10-15-14-9(17-10)8(12)16/h13H,4-7H2,1-3H3,(H2,12,16)
InChIKeyQGQMYUVFOPJSQO-UHFFFAOYSA-N
XLogP1.30
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-4-(propylamino)butan-2-yl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[2-methyl-4-(propylamino)butan-2-yl]-1,3,4-thiadiazole-2-carboxamide (CID 68832727) is 5-[2-methyl-4-(propylamino)butan-2-yl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[2-methyl-4-(propylamino)butan-2-yl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[2-methyl-4-(propylamino)butan-2-yl]-1,3,4-thiadiazole-2-carboxamide is CCCNCCC(C)(C)c1nnc(C(N)=O)s1.
What is the InChIKey of 5-[2-methyl-4-(propylamino)butan-2-yl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is QGQMYUVFOPJSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-4-6-13-7-5-11(2,3)10-15-14-9(17-10)8(12)16/h13H,4-7H2,1-3H3,(H2,12,16).
What are the key properties of 5-[2-methyl-4-(propylamino)butan-2-yl]-1,3,4-thiadiazole-2-carboxamide?
5-[2-methyl-4-(propylamino)butan-2-yl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 256.37 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-4-(propylamino)butan-2-yl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 68832727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).