N-(2-azidoethyl)-4,5-dibromothiophene-2-carboxamide

C7H6Br2N4OS — CID 80538796

IUPACN-(2-azidoethyl)-4,5-dibromothiophene-2-carboxamide
SMILES[N-]=[N+]=NCCNC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C7H6Br2N4OS/c8-4-3-5(15-6(4)9)7(14)11-1-2-12-13-10/h3H,1-2H2,(H,11,14)
InChIKeyGGYLOJGDFSROEF-UHFFFAOYSA-N
MW354.03 g/mol
LogP3.31
Rot. Bonds4

About N-(2-azidoethyl)-4,5-dibromothiophene-2-carboxamide

N-(2-azidoethyl)-4,5-dibromothiophene-2-carboxamide (PubChem CID 80538796) has the molecular formula C7H6Br2N4OS and a molecular weight of 354.03 g/mol. Its IUPAC name is N-(2-azidoethyl)-4,5-dibromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-azidoethyl)-4,5-dibromothiophene-2-carboxamide
PubChem CID80538796
Molecular FormulaC7H6Br2N4OS
Molecular Weight354.03 g/mol
Exact Mass351.86
IUPAC NameN-(2-azidoethyl)-4,5-dibromothiophene-2-carboxamide
SMILES[N-]=[N+]=NCCNC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C7H6Br2N4OS/c8-4-3-5(15-6(4)9)7(14)11-1-2-12-13-10/h3H,1-2H2,(H,11,14)
InChIKeyGGYLOJGDFSROEF-UHFFFAOYSA-N
XLogP3.31
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.03
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze N-(2-azidoethyl)-4,5-dibromothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-azidopropyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79996237
N-(3-aminopropyl)-4,5-dibromothiophene-2-carboxamide
CID 80537023
4,5-dibromo-N-butylthiophene-2-carboxamide
CID 29203844
4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-carboxamide
CID 38983446
5-[(4,5-dibromothiophene-2-carbonyl)amino]pentanoic acid
CID 62033410
4,5-dibromo-N-(2-cyclopropylethyl)thiophene-2-carboxamide
CID 79036871
4,5-dibromo-N-decylthiophene-2-carboxamide
CID 80536454
4,5-dibromo-N-[2-(2-bromoethoxy)ethyl]thiophene-2-carboxamide
CID 114309271
4,5-dibromo-N-(2-phenylethyl)thiophene-2-carboxamide
CID 19205118
4,5-dibromo-N-pent-3-ynylthiophene-2-carboxamide
CID 104581157
N-(2-azidoethyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 81104542
N-(2-amino-2-oxoethyl)-4,5-dibromothiophene-2-carboxamide
CID 60668533

Frequently Asked Questions

What is the IUPAC name of N-(2-azidoethyl)-4,5-dibromothiophene-2-carboxamide?
The IUPAC name of N-(2-azidoethyl)-4,5-dibromothiophene-2-carboxamide (CID 80538796) is N-(2-azidoethyl)-4,5-dibromothiophene-2-carboxamide.
What is the SMILES notation for N-(2-azidoethyl)-4,5-dibromothiophene-2-carboxamide?
The canonical SMILES for N-(2-azidoethyl)-4,5-dibromothiophene-2-carboxamide is [N-]=[N+]=NCCNC(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of N-(2-azidoethyl)-4,5-dibromothiophene-2-carboxamide?
The InChIKey is GGYLOJGDFSROEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Br2N4OS/c8-4-3-5(15-6(4)9)7(14)11-1-2-12-13-10/h3H,1-2H2,(H,11,14).
What are the key properties of N-(2-azidoethyl)-4,5-dibromothiophene-2-carboxamide?
N-(2-azidoethyl)-4,5-dibromothiophene-2-carboxamide has a molecular weight of 354.03 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)-4,5-dibromothiophene-2-carboxamide is sourced from PubChem (CID 80538796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).