N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide

C11H12N4O3S — CID 146022296

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C11H12N4O3S/c16-7(5-15-8(17)3-4-9(15)18)12-11-14-13-10(19-11)6-1-2-6/h6H,1-5H2,(H,12,14,16)
InChIKeyNJUQOZCGXPPIEQ-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.50
Rot. Bonds4

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide (PubChem CID 146022296) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
PubChem CID146022296
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C11H12N4O3S/c16-7(5-15-8(17)3-4-9(15)18)12-11-14-13-10(19-11)6-1-2-6/h6H,1-5H2,(H,12,14,16)
InChIKeyNJUQOZCGXPPIEQ-UHFFFAOYSA-N
XLogP0.50
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.50
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

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 47004586
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide
CID 29124369
2-amino-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide;hydrochloride
CID 130694011
2-(2-oxopyrrolidin-1-yl)-N-[5-[3-[5-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 123350456
N-[5-[4-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclohexyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 139461012
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanamide
CID 684814
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypropan-2-yl)urea
CID 47196431
2-amino-N-[5-(4-butylcyclohexyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 39176888
2-(1,3-dioxoisoindol-2-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 2959424
2-(4-acetamidoindol-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
CID 71828007
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2-fluorophenyl)sulfanylacetamide
CID 30279767
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 42936586

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide (CID 146022296) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide is O=C(CN1C(=O)CCC1=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
The InChIKey is NJUQOZCGXPPIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c16-7(5-15-8(17)3-4-9(15)18)12-11-14-13-10(19-11)6-1-2-6/h6H,1-5H2,(H,12,14,16).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide has a molecular weight of 280.31 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 146022296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).