N-(3-aminopropyl)-4,5-dibromothiophene-2-carboxamide

C8H10Br2N2OS — CID 80537023

IUPACN-(3-aminopropyl)-4,5-dibromothiophene-2-carboxamide
SMILESNCCCNC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C8H10Br2N2OS/c9-5-4-6(14-7(5)10)8(13)12-3-1-2-11/h4H,1-3,11H2,(H,12,13)
InChIKeyQGEDRUZJXAOAGG-UHFFFAOYSA-N
MW342.06 g/mol
LogP2.35
Rot. Bonds4

About N-(3-aminopropyl)-4,5-dibromothiophene-2-carboxamide

N-(3-aminopropyl)-4,5-dibromothiophene-2-carboxamide (PubChem CID 80537023) has the molecular formula C8H10Br2N2OS and a molecular weight of 342.06 g/mol. Its IUPAC name is N-(3-aminopropyl)-4,5-dibromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4,5-dibromothiophene-2-carboxamide
PubChem CID80537023
Molecular FormulaC8H10Br2N2OS
Molecular Weight342.06 g/mol
Exact Mass339.89
IUPAC NameN-(3-aminopropyl)-4,5-dibromothiophene-2-carboxamide
SMILESNCCCNC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C8H10Br2N2OS/c9-5-4-6(14-7(5)10)8(13)12-3-1-2-11/h4H,1-3,11H2,(H,12,13)
InChIKeyQGEDRUZJXAOAGG-UHFFFAOYSA-N
XLogP2.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.06
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,5-dibromo-N-butylthiophene-2-carboxamide
CID 29203844
5-[(4,5-dibromothiophene-2-carbonyl)amino]pentanoic acid
CID 62033410
4,5-dibromo-N-decylthiophene-2-carboxamide
CID 80536454
N-(2-amino-2-oxoethyl)-4,5-dibromothiophene-2-carboxamide
CID 60668533
4,5-dibromo-N-(3-butoxypropyl)thiophene-2-carboxamide
CID 27682675
4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-carboxamide
CID 38983446
4,5-dibromo-N-(2-cyclopropylethyl)thiophene-2-carboxamide
CID 79036871
N-(3-aminopropyl)-4,5-dibromo-N-methylthiophene-2-carboxamide
CID 81483467
4,5-dibromo-N-(2-phenylethyl)thiophene-2-carboxamide
CID 19205118
4,5-dibromo-N-[2-(2-bromoethoxy)ethyl]thiophene-2-carboxamide
CID 114309271
4,5-dibromo-N-pent-3-ynylthiophene-2-carboxamide
CID 104581157
N-(2-azidoethyl)-4,5-dibromothiophene-2-carboxamide
CID 80538796

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4,5-dibromothiophene-2-carboxamide?
The IUPAC name of N-(3-aminopropyl)-4,5-dibromothiophene-2-carboxamide (CID 80537023) is N-(3-aminopropyl)-4,5-dibromothiophene-2-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-4,5-dibromothiophene-2-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-4,5-dibromothiophene-2-carboxamide is NCCCNC(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of N-(3-aminopropyl)-4,5-dibromothiophene-2-carboxamide?
The InChIKey is QGEDRUZJXAOAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Br2N2OS/c9-5-4-6(14-7(5)10)8(13)12-3-1-2-11/h4H,1-3,11H2,(H,12,13).
What are the key properties of N-(3-aminopropyl)-4,5-dibromothiophene-2-carboxamide?
N-(3-aminopropyl)-4,5-dibromothiophene-2-carboxamide has a molecular weight of 342.06 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4,5-dibromothiophene-2-carboxamide is sourced from PubChem (CID 80537023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).