4-(1,3-dioxoisoindol-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide

C17H18N4O3S — CID 1334639

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCCc1nnc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)s1
InChIInChI=1S/C17H18N4O3S/c1-2-6-14-19-20-17(25-14)18-13(22)9-5-10-21-15(23)11-7-3-4-8-12(11)16(21)24/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,18,20,22)
InChIKeyPLGLDTVSBHQUMD-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.51
Rot. Bonds7

About 4-(1,3-dioxoisoindol-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide

4-(1,3-dioxoisoindol-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 1334639) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID1334639
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCCc1nnc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)s1
InChIInChI=1S/C17H18N4O3S/c1-2-6-14-19-20-17(25-14)18-13(22)9-5-10-21-15(23)11-7-3-4-8-12(11)16(21)24/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,18,20,22)
InChIKeyPLGLDTVSBHQUMD-UHFFFAOYSA-N
XLogP2.51
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.51
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-(1,3-dioxoisoindol-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide (CID 1334639) is 4-(1,3-dioxoisoindol-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide is CCCc1nnc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)s1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is PLGLDTVSBHQUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-2-6-14-19-20-17(25-14)18-13(22)9-5-10-21-15(23)11-7-3-4-8-12(11)16(21)24/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,18,20,22).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 358.42 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 1334639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).