4-(2,5-dioxopyrrolidin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide

C14H20N4O3S — CID 769635

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESCC(C)Cc1nnc(NC(=O)CCCN2C(=O)CCC2=O)s1
InChIInChI=1S/C14H20N4O3S/c1-9(2)8-11-16-17-14(22-11)15-10(19)4-3-7-18-12(20)5-6-13(18)21/h9H,3-8H2,1-2H3,(H,15,17,19)
InChIKeyYNWNEFWGPFAXLL-UHFFFAOYSA-N
MW324.41 g/mol
LogP1.60
Rot. Bonds7

About 4-(2,5-dioxopyrrolidin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide

4-(2,5-dioxopyrrolidin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide (PubChem CID 769635) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
PubChem CID769635
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESCC(C)Cc1nnc(NC(=O)CCCN2C(=O)CCC2=O)s1
InChIInChI=1S/C14H20N4O3S/c1-9(2)8-11-16-17-14(22-11)15-10(19)4-3-7-18-12(20)5-6-13(18)21/h9H,3-8H2,1-2H3,(H,15,17,19)
InChIKeyYNWNEFWGPFAXLL-UHFFFAOYSA-N
XLogP1.60
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide (CID 769635) is 4-(2,5-dioxopyrrolidin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide is CC(C)Cc1nnc(NC(=O)CCCN2C(=O)CCC2=O)s1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide?
The InChIKey is YNWNEFWGPFAXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S/c1-9(2)8-11-16-17-14(22-11)15-10(19)4-3-7-18-12(20)5-6-13(18)21/h9H,3-8H2,1-2H3,(H,15,17,19).
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide has a molecular weight of 324.41 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanamide is sourced from PubChem (CID 769635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).