2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide

C11H15N5OS2 — CID 579610

IUPAC2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCC(Sc1nccn1C)C(=O)Nc1nnc(C)s1
InChIInChI=1S/C11H15N5OS2/c1-4-8(19-11-12-5-6-16(11)3)9(17)13-10-15-14-7(2)18-10/h5-6,8H,4H2,1-3H3,(H,13,15,17)
InChIKeyUSUPWVAAGCOCSN-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.09
Rot. Bonds5

About 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide

2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 579610) has the molecular formula C11H15N5OS2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID579610
Molecular FormulaC11H15N5OS2
Molecular Weight297.41 g/mol
Exact Mass297.07
IUPAC Name2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCC(Sc1nccn1C)C(=O)Nc1nnc(C)s1
InChIInChI=1S/C11H15N5OS2/c1-4-8(19-11-12-5-6-16(11)3)9(17)13-10-15-14-7(2)18-10/h5-6,8H,4H2,1-3H3,(H,13,15,17)
InChIKeyUSUPWVAAGCOCSN-UHFFFAOYSA-N
XLogP2.09
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide (CID 579610) is 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide is CCC(Sc1nccn1C)C(=O)Nc1nnc(C)s1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is USUPWVAAGCOCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS2/c1-4-8(19-11-12-5-6-16(11)3)9(17)13-10-15-14-7(2)18-10/h5-6,8H,4H2,1-3H3,(H,13,15,17).
What are the key properties of 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide?
2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 297.41 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 579610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).