2-[(5-bromo-1,3,4-thiadiazol-2-yl)-ethylamino]-N-methylacetamide

C7H11BrN4OS — CID 64622639

IUPAC2-[(5-bromo-1,3,4-thiadiazol-2-yl)-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1nnc(Br)s1
InChIInChI=1S/C7H11BrN4OS/c1-3-12(4-5(13)9-2)7-11-10-6(8)14-7/h3-4H2,1-2H3,(H,9,13)
InChIKeyGILGQZWIGGYXOS-UHFFFAOYSA-N
MW279.16 g/mol
LogP0.87
Rot. Bonds4

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

2-[(5-bromo-1,3,4-thiadiazol-2-yl)-ethylamino]-N-methylacetamide (PubChem CID 64622639) 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)-ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-bromo-1,3,4-thiadiazol-2-yl)-ethylamino]-N-methylacetamide
PubChem CID64622639
Molecular FormulaC7H11BrN4OS
Molecular Weight279.16 g/mol
Exact Mass277.98
IUPAC Name2-[(5-bromo-1,3,4-thiadiazol-2-yl)-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1nnc(Br)s1
InChIInChI=1S/C7H11BrN4OS/c1-3-12(4-5(13)9-2)7-11-10-6(8)14-7/h3-4H2,1-2H3,(H,9,13)
InChIKeyGILGQZWIGGYXOS-UHFFFAOYSA-N
XLogP0.87
TPSA58.12 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 ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-ethylamino]-N-methylacetamide?
The IUPAC name of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-ethylamino]-N-methylacetamide (CID 64622639) is 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-ethylamino]-N-methylacetamide is CCN(CC(=O)NC)c1nnc(Br)s1.
What is the InChIKey of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-ethylamino]-N-methylacetamide?
The InChIKey is GILGQZWIGGYXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN4OS/c1-3-12(4-5(13)9-2)7-11-10-6(8)14-7/h3-4H2,1-2H3,(H,9,13).
What are the key properties of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-ethylamino]-N-methylacetamide?
2-[(5-bromo-1,3,4-thiadiazol-2-yl)-ethylamino]-N-methylacetamide has a molecular weight of 279.16 g/mol, XLogP of 0.87, 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)-ethylamino]-N-methylacetamide is sourced from PubChem (CID 64622639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).