2-cyclopentyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide

C17H16N4O3S — CID 39033368

IUPAC2-cyclopentyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCC2)C3=O)s1
InChIInChI=1S/C17H16N4O3S/c1-9-19-20-17(25-9)18-14(22)10-6-7-12-13(8-10)16(24)21(15(12)23)11-4-2-3-5-11/h6-8,11H,2-5H2,1H3,(H,18,20,22)
InChIKeyPULXDSVHHVKLMZ-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.64
Rot. Bonds3

About 2-cyclopentyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide

2-cyclopentyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 39033368) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 2-cyclopentyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-cyclopentyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID39033368
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name2-cyclopentyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCC2)C3=O)s1
InChIInChI=1S/C17H16N4O3S/c1-9-19-20-17(25-9)18-14(22)10-6-7-12-13(8-10)16(24)21(15(12)23)11-4-2-3-5-11/h6-8,11H,2-5H2,1H3,(H,18,20,22)
InChIKeyPULXDSVHHVKLMZ-UHFFFAOYSA-N
XLogP2.64
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.64
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-cyclopentyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-cyclopentyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide (CID 39033368) is 2-cyclopentyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-cyclopentyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-cyclopentyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide is Cc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(C2CCCC2)C3=O)s1.
What is the InChIKey of 2-cyclopentyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is PULXDSVHHVKLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-9-19-20-17(25-9)18-14(22)10-6-7-12-13(8-10)16(24)21(15(12)23)11-4-2-3-5-11/h6-8,11H,2-5H2,1H3,(H,18,20,22).
What are the key properties of 2-cyclopentyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide?
2-cyclopentyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 39033368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).