2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone

C8H11BrN4OS — CID 115643786

IUPAC2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESO=C(CNc1nnc(Br)s1)N1CCCC1
InChIInChI=1S/C8H11BrN4OS/c9-7-11-12-8(15-7)10-5-6(14)13-3-1-2-4-13/h1-5H2,(H,10,12)
InChIKeyZIJATHLLRKILFU-UHFFFAOYSA-N
MW291.17 g/mol
LogP1.33
Rot. Bonds3

About 2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone

2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone (PubChem CID 115643786) has the molecular formula C8H11BrN4OS and a molecular weight of 291.17 g/mol. Its IUPAC name is 2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
PubChem CID115643786
Molecular FormulaC8H11BrN4OS
Molecular Weight291.17 g/mol
Exact Mass289.98
IUPAC Name2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESO=C(CNc1nnc(Br)s1)N1CCCC1
InChIInChI=1S/C8H11BrN4OS/c9-7-11-12-8(15-7)10-5-6(14)13-3-1-2-4-13/h1-5H2,(H,10,12)
InChIKeyZIJATHLLRKILFU-UHFFFAOYSA-N
XLogP1.33
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methyl-1,3-thiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 115577665
2-(1,3-benzothiazol-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 112683781
2-[(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 47156057
5-bromo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboxylic acid
CID 113406289
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 113255900
2-(2,3,4,5,6-pentafluoroanilino)-1-pyrrolidin-1-ylethanone
CID 115279721
2-(4-bromo-2,6-dichloroanilino)-1-pyrrolidin-1-ylethanone
CID 28993380
1-(azepan-1-yl)-2-(4-bromo-3,5-dimethylanilino)ethanone
CID 107573726
2-(4-bromo-2,6-difluoroanilino)-1-piperidin-1-ylethanone
CID 65467650
4-(azepan-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 943863
2-[methyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
CID 80606899
2-[[4-methoxy-8-methyl-2-[[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]amino]-1-pyrrolidin-1-ylethanone
CID 24890284

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone (CID 115643786) is 2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone is O=C(CNc1nnc(Br)s1)N1CCCC1.
What is the InChIKey of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is ZIJATHLLRKILFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN4OS/c9-7-11-12-8(15-7)10-5-6(14)13-3-1-2-4-13/h1-5H2,(H,10,12).
What are the key properties of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone?
2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 291.17 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 115643786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).