2-bromo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide

C10H10BrN3OS2 — CID 108744057

IUPAC2-bromo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCC(Br)C(=O)Nc1nnc(-c2cccs2)s1
InChIInChI=1S/C10H10BrN3OS2/c1-2-6(11)8(15)12-10-14-13-9(17-10)7-4-3-5-16-7/h3-6H,2H2,1H3,(H,12,14,15)
InChIKeyIODSLZLZCFJERK-UHFFFAOYSA-N
MW332.25 g/mol
LogP3.38
Rot. Bonds4

About 2-bromo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide

2-bromo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 108744057) has the molecular formula C10H10BrN3OS2 and a molecular weight of 332.25 g/mol. Its IUPAC name is 2-bromo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID108744057
Molecular FormulaC10H10BrN3OS2
Molecular Weight332.25 g/mol
Exact Mass330.94
IUPAC Name2-bromo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCC(Br)C(=O)Nc1nnc(-c2cccs2)s1
InChIInChI=1S/C10H10BrN3OS2/c1-2-6(11)8(15)12-10-14-13-9(17-10)7-4-3-5-16-7/h3-6H,2H2,1H3,(H,12,14,15)
InChIKeyIODSLZLZCFJERK-UHFFFAOYSA-N
XLogP3.38
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 1080990
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 1080987
2-methylpropyl N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)carbamate
CID 108744061
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)octadecanamide
CID 108744035
2-chloroethyl N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)carbamate
CID 108744063
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 108766306
N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)naphthalene-1-carboxamide
CID 2881332
2-(4-methylphenyl)sulfanyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 2201339
2-methyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)furan-3-carboxamide
CID 1224004
(2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 1451460
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 31259022
(E)-3-phenyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 879449

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 2-bromo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide (CID 108744057) is 2-bromo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 2-bromo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 2-bromo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide is CCC(Br)C(=O)Nc1nnc(-c2cccs2)s1.
What is the InChIKey of 2-bromo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is IODSLZLZCFJERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS2/c1-2-6(11)8(15)12-10-14-13-9(17-10)7-4-3-5-16-7/h3-6H,2H2,1H3,(H,12,14,15).
What are the key properties of 2-bromo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide?
2-bromo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 332.25 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 108744057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).