2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-cyclopropylacetamide

C8H11BrN4OS — CID 64622647

IUPAC2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)c1nnc(Br)s1
InChIInChI=1S/C8H11BrN4OS/c1-13(8-12-11-7(9)15-8)4-6(14)10-5-2-3-5/h5H,2-4H2,1H3,(H,10,14)
InChIKeyRNYCWXWSKOHLFE-UHFFFAOYSA-N
MW291.17 g/mol
LogP1.02
Rot. Bonds4

About 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-cyclopropylacetamide

2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-cyclopropylacetamide (PubChem CID 64622647) 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)-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-cyclopropylacetamide
PubChem CID64622647
Molecular FormulaC8H11BrN4OS
Molecular Weight291.17 g/mol
Exact Mass289.98
IUPAC Name2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)c1nnc(Br)s1
InChIInChI=1S/C8H11BrN4OS/c1-13(8-12-11-7(9)15-8)4-6(14)10-5-2-3-5/h5H,2-4H2,1H3,(H,10,14)
InChIKeyRNYCWXWSKOHLFE-UHFFFAOYSA-N
XLogP1.02
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 64624526
N-cyclopropyl-2-[methyl-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]acetamide
CID 35417651
N-cyclopropyl-2-[(4,7-dimethyl-1,3-benzothiazol-2-yl)-methylamino]acetamide
CID 90606084
2-[(5-aminopyrimidin-2-yl)-methylamino]-N-cyclopropylacetamide
CID 61145458
2-[[2-(5-bromothiophen-2-yl)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 60681800
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-cyclohexylacetamide
CID 90605360
2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-N-cyclopropylacetamide
CID 112698989
2-[(6-chloro-5-methylpyrimidin-4-yl)-methylamino]-N-cyclopropylacetamide
CID 63728145
2-(4-tert-butyl-N-methylanilino)-N-cyclopropylacetamide
CID 60561239
2-[(4-carbamothioylpyridazin-3-yl)-methylamino]-N-cyclopropylacetamide
CID 80511338
2-[(5-aminothiadiazol-4-yl)methyl-methylamino]-N-cyclopropylacetamide
CID 62209102
2-[(4-amino-1-methylpyrazol-3-yl)-methylamino]-N-cyclopropylacetamide
CID 103078075

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-cyclopropylacetamide (CID 64622647) is 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-cyclopropylacetamide is CN(CC(=O)NC1CC1)c1nnc(Br)s1.
What is the InChIKey of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-cyclopropylacetamide?
The InChIKey is RNYCWXWSKOHLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN4OS/c1-13(8-12-11-7(9)15-8)4-6(14)10-5-2-3-5/h5H,2-4H2,1H3,(H,10,14).
What are the key properties of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-cyclopropylacetamide?
2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-cyclopropylacetamide has a molecular weight of 291.17 g/mol, XLogP of 1.02, 4 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)-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 64622647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).