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

C8H13BrN4OS — CID 64622846

IUPAC2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1nnc(Br)s1
InChIInChI=1S/C8H13BrN4OS/c1-3-4-10-6(14)5-13(2)8-12-11-7(9)15-8/h3-5H2,1-2H3,(H,10,14)
InChIKeyXNNCWHVBVVZLPO-UHFFFAOYSA-N
MW293.19 g/mol
LogP1.26
Rot. Bonds5

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

2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-propylacetamide (PubChem CID 64622846) has the molecular formula C8H13BrN4OS and a molecular weight of 293.19 g/mol. Its IUPAC name is 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-propylacetamide
PubChem CID64622846
Molecular FormulaC8H13BrN4OS
Molecular Weight293.19 g/mol
Exact Mass292.00
IUPAC Name2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1nnc(Br)s1
InChIInChI=1S/C8H13BrN4OS/c1-3-4-10-6(14)5-13(2)8-12-11-7(9)15-8/h3-5H2,1-2H3,(H,10,14)
InChIKeyXNNCWHVBVVZLPO-UHFFFAOYSA-N
XLogP1.26
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 51.26
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)-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-propylacetamide (CID 64622846) is 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)c1nnc(Br)s1.
What is the InChIKey of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-propylacetamide?
The InChIKey is XNNCWHVBVVZLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN4OS/c1-3-4-10-6(14)5-13(2)8-12-11-7(9)15-8/h3-5H2,1-2H3,(H,10,14).
What are the key properties of 2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-propylacetamide?
2-[(5-bromo-1,3,4-thiadiazol-2-yl)-methylamino]-N-propylacetamide has a molecular weight of 293.19 g/mol, XLogP of 1.26, 5 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-propylacetamide is sourced from PubChem (CID 64622846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).