2-(2,3-dioxoindol-1-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

C15H14N4O3S — CID 28527238

IUPAC2-(2,3-dioxoindol-1-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CN2C(=O)C(=O)c3ccccc32)s1
InChIInChI=1S/C15H14N4O3S/c1-8(2)13-17-18-15(23-13)16-11(20)7-19-10-6-4-3-5-9(10)12(21)14(19)22/h3-6,8H,7H2,1-2H3,(H,16,18,20)
InChIKeyCPSBKEIQGFMQNI-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.83
Rot. Bonds4

About 2-(2,3-dioxoindol-1-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

2-(2,3-dioxoindol-1-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 28527238) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is 2-(2,3-dioxoindol-1-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dioxoindol-1-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID28527238
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Name2-(2,3-dioxoindol-1-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)c1nnc(NC(=O)CN2C(=O)C(=O)c3ccccc32)s1
InChIInChI=1S/C15H14N4O3S/c1-8(2)13-17-18-15(23-13)16-11(20)7-19-10-6-4-3-5-9(10)12(21)14(19)22/h3-6,8H,7H2,1-2H3,(H,16,18,20)
InChIKeyCPSBKEIQGFMQNI-UHFFFAOYSA-N
XLogP1.83
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 17449384
2-(2,3-dioxoindol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 60630184
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
CID 71296828
4-[[2-(2,3-dioxoindol-1-yl)acetyl]amino]benzoic acid
CID 3644129
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804356
2-(1,3-dioxoisoindol-2-yl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 17320801
2-(2,3-dioxoindol-1-yl)-N-(4-nitrophenyl)acetamide
CID 3704400
(1S)-2-cyclopropyl-3-oxo-N-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]-1H-isoindole-1-carboxamide
CID 95348486
2-[(6aR)-6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 96557223
2-indolo[3,2-b]quinoxalin-6-yl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 28527293
3-amino-3-phenyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119949175
[(1R)-1-cyanoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804446

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dioxoindol-1-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(2,3-dioxoindol-1-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 28527238) is 2-(2,3-dioxoindol-1-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,3-dioxoindol-1-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(2,3-dioxoindol-1-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is CC(C)c1nnc(NC(=O)CN2C(=O)C(=O)c3ccccc32)s1.
What is the InChIKey of 2-(2,3-dioxoindol-1-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is CPSBKEIQGFMQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-8(2)13-17-18-15(23-13)16-11(20)7-19-10-6-4-3-5-9(10)12(21)14(19)22/h3-6,8H,7H2,1-2H3,(H,16,18,20).
What are the key properties of 2-(2,3-dioxoindol-1-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?
2-(2,3-dioxoindol-1-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 330.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dioxoindol-1-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 28527238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).