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

C16H16N4O3S — CID 807012

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCCc1nnc(NC(=O)CCN2C(=O)c3ccccc3C2=O)s1
InChIInChI=1S/C16H16N4O3S/c1-2-5-13-18-19-16(24-13)17-12(21)8-9-20-14(22)10-6-3-4-7-11(10)15(20)23/h3-4,6-7H,2,5,8-9H2,1H3,(H,17,19,21)
InChIKeyBIUZWFLUEJLBKY-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.12
Rot. Bonds6

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

3-(1,3-dioxoisoindol-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 807012) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID807012
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCCc1nnc(NC(=O)CCN2C(=O)c3ccccc3C2=O)s1
InChIInChI=1S/C16H16N4O3S/c1-2-5-13-18-19-16(24-13)17-12(21)8-9-20-14(22)10-6-3-4-7-11(10)15(20)23/h3-4,6-7H,2,5,8-9H2,1H3,(H,17,19,21)
InChIKeyBIUZWFLUEJLBKY-UHFFFAOYSA-N
XLogP2.12
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.12
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 3-(1,3-dioxoisoindol-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide (CID 807012) is 3-(1,3-dioxoisoindol-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide is CCCc1nnc(NC(=O)CCN2C(=O)c3ccccc3C2=O)s1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is BIUZWFLUEJLBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-2-5-13-18-19-16(24-13)17-12(21)8-9-20-14(22)10-6-3-4-7-11(10)15(20)23/h3-4,6-7H,2,5,8-9H2,1H3,(H,17,19,21).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 344.40 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 807012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).