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

C17H18N4O3S — CID 17320801

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCC(C)(C)c1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)s1
InChIInChI=1S/C17H18N4O3S/c1-4-17(2,3)15-19-20-16(25-15)18-12(22)9-21-13(23)10-7-5-6-8-11(10)14(21)24/h5-8H,4,9H2,1-3H3,(H,18,20,22)
InChIKeyLVHUBPAHWFYQFW-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.46
Rot. Bonds5

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

2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 17320801) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID17320801
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCC(C)(C)c1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)s1
InChIInChI=1S/C17H18N4O3S/c1-4-17(2,3)15-19-20-16(25-15)18-12(22)9-21-13(23)10-7-5-6-8-11(10)14(21)24/h5-8H,4,9H2,1-3H3,(H,18,20,22)
InChIKeyLVHUBPAHWFYQFW-UHFFFAOYSA-N
XLogP2.46
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 17320230
2-(1,3-dioxoisoindol-2-yl)-N-[5-(3-phenylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 17320813
2-(1,3-dioxoisoindol-2-yl)-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 17193443
2,2-dimethyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
CID 17320669
2-(1,3-dioxoisoindol-2-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 2959424
2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide
CID 23824241
N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7658806
N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 108756226
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 55978389
2-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 2640794
3-methyl-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17319774
1-[(1,3-dioxoisoindol-2-yl)methyl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 19259014

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide (CID 17320801) is 2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide is CCC(C)(C)c1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)s1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is LVHUBPAHWFYQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-4-17(2,3)15-19-20-16(25-15)18-12(22)9-21-13(23)10-7-5-6-8-11(10)14(21)24/h5-8H,4,9H2,1-3H3,(H,18,20,22).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 358.42 g/mol, XLogP of 2.46, 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-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 17320801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).