1-butan-2-yl-N-(1,3,4-thiadiazol-2-yl)imidazole-4-sulfonamide

C9H13N5O2S2 — CID 71909657

IUPAC1-butan-2-yl-N-(1,3,4-thiadiazol-2-yl)imidazole-4-sulfonamide
SMILESCCC(C)n1cnc(S(=O)(=O)Nc2nncs2)c1
InChIInChI=1S/C9H13N5O2S2/c1-3-7(2)14-4-8(10-5-14)18(15,16)13-9-12-11-6-17-9/h4-7H,3H2,1-2H3,(H,12,13)
InChIKeyPPDUYDXWYLIJSQ-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.51
Rot. Bonds5

About 1-butan-2-yl-N-(1,3,4-thiadiazol-2-yl)imidazole-4-sulfonamide

1-butan-2-yl-N-(1,3,4-thiadiazol-2-yl)imidazole-4-sulfonamide (PubChem CID 71909657) has the molecular formula C9H13N5O2S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-butan-2-yl-N-(1,3,4-thiadiazol-2-yl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-butan-2-yl-N-(1,3,4-thiadiazol-2-yl)imidazole-4-sulfonamide
PubChem CID71909657
Molecular FormulaC9H13N5O2S2
Molecular Weight287.37 g/mol
Exact Mass287.05
IUPAC Name1-butan-2-yl-N-(1,3,4-thiadiazol-2-yl)imidazole-4-sulfonamide
SMILESCCC(C)n1cnc(S(=O)(=O)Nc2nncs2)c1
InChIInChI=1S/C9H13N5O2S2/c1-3-7(2)14-4-8(10-5-14)18(15,16)13-9-12-11-6-17-9/h4-7H,3H2,1-2H3,(H,12,13)
InChIKeyPPDUYDXWYLIJSQ-UHFFFAOYSA-N
XLogP1.51
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N-(1,3,4-thiadiazol-2-yl)imidazole-4-sulfonamide?
The IUPAC name of 1-butan-2-yl-N-(1,3,4-thiadiazol-2-yl)imidazole-4-sulfonamide (CID 71909657) is 1-butan-2-yl-N-(1,3,4-thiadiazol-2-yl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-butan-2-yl-N-(1,3,4-thiadiazol-2-yl)imidazole-4-sulfonamide?
The canonical SMILES for 1-butan-2-yl-N-(1,3,4-thiadiazol-2-yl)imidazole-4-sulfonamide is CCC(C)n1cnc(S(=O)(=O)Nc2nncs2)c1.
What is the InChIKey of 1-butan-2-yl-N-(1,3,4-thiadiazol-2-yl)imidazole-4-sulfonamide?
The InChIKey is PPDUYDXWYLIJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2S2/c1-3-7(2)14-4-8(10-5-14)18(15,16)13-9-12-11-6-17-9/h4-7H,3H2,1-2H3,(H,12,13).
What are the key properties of 1-butan-2-yl-N-(1,3,4-thiadiazol-2-yl)imidazole-4-sulfonamide?
1-butan-2-yl-N-(1,3,4-thiadiazol-2-yl)imidazole-4-sulfonamide has a molecular weight of 287.37 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N-(1,3,4-thiadiazol-2-yl)imidazole-4-sulfonamide is sourced from PubChem (CID 71909657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).