2-[(5-bromo-1,3,4-thiadiazol-2-yl)-propan-2-ylamino]acetamide

C7H11BrN4OS — CID 64624528

IUPAC2-[(5-bromo-1,3,4-thiadiazol-2-yl)-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)c1nnc(Br)s1
InChIInChI=1S/C7H11BrN4OS/c1-4(2)12(3-5(9)13)7-11-10-6(8)14-7/h4H,3H2,1-2H3,(H2,9,13)
InChIKeyUTGXZSDYYGPXLZ-UHFFFAOYSA-N
MW279.16 g/mol
LogP1.00
Rot. Bonds4

About 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-propan-2-ylamino]acetamide

2-[(5-bromo-1,3,4-thiadiazol-2-yl)-propan-2-ylamino]acetamide (PubChem CID 64624528) has the molecular formula C7H11BrN4OS and a molecular weight of 279.16 g/mol. Its IUPAC name is 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[(5-bromo-1,3,4-thiadiazol-2-yl)-propan-2-ylamino]acetamide
PubChem CID64624528
Molecular FormulaC7H11BrN4OS
Molecular Weight279.16 g/mol
Exact Mass277.98
IUPAC Name2-[(5-bromo-1,3,4-thiadiazol-2-yl)-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)c1nnc(Br)s1
InChIInChI=1S/C7H11BrN4OS/c1-4(2)12(3-5(9)13)7-11-10-6(8)14-7/h4H,3H2,1-2H3,(H2,9,13)
InChIKeyUTGXZSDYYGPXLZ-UHFFFAOYSA-N
XLogP1.00
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.16
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-2-oxoethyl)-(5-bromo-1,3,4-thiadiazol-2-yl)amino]acetamide
CID 64625127
1-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]propan-2-ol
CID 64622447
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide
CID 80805687
2-(5-bromo-2-carbamothioyl-N-propan-2-ylanilino)acetamide
CID 114903004
2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide
CID 80805910
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide
CID 80805912
2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]-propan-2-ylamino]acetamide
CID 106970777
4-[(2-amino-2-oxoethyl)-propan-2-ylamino]pyridine-3-carboxylic acid
CID 81244428
2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propan-2-ylamino]acetamide
CID 103326354
2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide
CID 80805678
2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 64624526
2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-propan-2-ylamino]acetamide
CID 54989057

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-propan-2-ylamino]acetamide?
The IUPAC name of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-propan-2-ylamino]acetamide (CID 64624528) is 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)c1nnc(Br)s1.
What is the InChIKey of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-propan-2-ylamino]acetamide?
The InChIKey is UTGXZSDYYGPXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN4OS/c1-4(2)12(3-5(9)13)7-11-10-6(8)14-7/h4H,3H2,1-2H3,(H2,9,13).
What are the key properties of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-propan-2-ylamino]acetamide?
2-[(5-bromo-1,3,4-thiadiazol-2-yl)-propan-2-ylamino]acetamide has a molecular weight of 279.16 g/mol, XLogP of 1.00, 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)-propan-2-ylamino]acetamide is sourced from PubChem (CID 64624528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).