2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide

C16H16N4O3S — CID 895804

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(C)Cc1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)s1
InChIInChI=1S/C16H16N4O3S/c1-9(2)7-13-18-19-16(24-13)17-12(21)8-20-14(22)10-5-3-4-6-11(10)15(20)23/h3-6,9H,7-8H2,1-2H3,(H,17,19,21)
InChIKeyAFBNVUDAILPPNK-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.97
Rot. Bonds5

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

2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 895804) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID895804
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(C)Cc1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)s1
InChIInChI=1S/C16H16N4O3S/c1-9(2)7-13-18-19-16(24-13)17-12(21)8-20-14(22)10-5-3-4-6-11(10)15(20)23/h3-6,9H,7-8H2,1-2H3,(H,17,19,21)
InChIKeyAFBNVUDAILPPNK-UHFFFAOYSA-N
XLogP1.97
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.97
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 2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 895804) is 2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide is CC(C)Cc1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)s1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is AFBNVUDAILPPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-9(2)7-13-18-19-16(24-13)17-12(21)8-20-14(22)10-5-3-4-6-11(10)15(20)23/h3-6,9H,7-8H2,1-2H3,(H,17,19,21).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 344.40 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 895804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).