N-[(2S)-1-aminopropan-2-yl]-5-bromothiophene-3-carboxamide

C8H11BrN2OS — CID 120505953

IUPACN-[(2S)-1-aminopropan-2-yl]-5-bromothiophene-3-carboxamide
SMILESC[C@@H](CN)NC(=O)c1csc(Br)c1
InChIInChI=1S/C8H11BrN2OS/c1-5(3-10)11-8(12)6-2-7(9)13-4-6/h2,4-5H,3,10H2,1H3,(H,11,12)/t5-/m0/s1
InChIKeyDPIXEWCCHYXWEC-YFKPBYRVSA-N
MW263.16 g/mol
LogP1.59
Rot. Bonds3

About N-[(2S)-1-aminopropan-2-yl]-5-bromothiophene-3-carboxamide

N-[(2S)-1-aminopropan-2-yl]-5-bromothiophene-3-carboxamide (PubChem CID 120505953) has the molecular formula C8H11BrN2OS and a molecular weight of 263.16 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-5-bromothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-5-bromothiophene-3-carboxamide
PubChem CID120505953
Molecular FormulaC8H11BrN2OS
Molecular Weight263.16 g/mol
Exact Mass261.98
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-5-bromothiophene-3-carboxamide
SMILESC[C@@H](CN)NC(=O)c1csc(Br)c1
InChIInChI=1S/C8H11BrN2OS/c1-5(3-10)11-8(12)6-2-7(9)13-4-6/h2,4-5H,3,10H2,1H3,(H,11,12)/t5-/m0/s1
InChIKeyDPIXEWCCHYXWEC-YFKPBYRVSA-N
XLogP1.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-aminopropan-2-yl]-5-bromothiophene-3-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

5-bromo-N-(4-bromobutan-2-yl)thiophene-3-carboxamide
CID 107966213
5-bromo-N-(4-chlorobutan-2-yl)thiophene-3-carboxamide
CID 107966210
5-bromo-N-(1-ethoxypropan-2-yl)thiophene-3-carboxamide
CID 47901542
5-bromo-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-3-carboxamide
CID 115734936
methyl 2-[(5-bromothiophene-3-carbonyl)amino]propanoate
CID 60735474
5-bromo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide
CID 107961893
5-bromo-N-(1-iodo-3-methylbutan-2-yl)thiophene-3-carboxamide
CID 107966482
2-[(5-bromothiophene-3-carbonyl)amino]-3-methylbutanoic acid
CID 43354005
methyl 2-[(5-bromothiophene-3-carbonyl)amino]-3-hydroxypropanoate
CID 43623494
2-[(5-bromothiophene-3-carbonyl)amino]-4-methylpentanoic acid
CID 43353273
N-[1-(4-aminophenyl)ethyl]-5-bromothiophene-3-carboxamide
CID 114020924
5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-3-carboxamide
CID 47159789

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-5-bromothiophene-3-carboxamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-5-bromothiophene-3-carboxamide (CID 120505953) is N-[(2S)-1-aminopropan-2-yl]-5-bromothiophene-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-5-bromothiophene-3-carboxamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-5-bromothiophene-3-carboxamide is C[C@@H](CN)NC(=O)c1csc(Br)c1.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-5-bromothiophene-3-carboxamide?
The InChIKey is DPIXEWCCHYXWEC-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H11BrN2OS/c1-5(3-10)11-8(12)6-2-7(9)13-4-6/h2,4-5H,3,10H2,1H3,(H,11,12)/t5-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-5-bromothiophene-3-carboxamide?
N-[(2S)-1-aminopropan-2-yl]-5-bromothiophene-3-carboxamide has a molecular weight of 263.16 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-5-bromothiophene-3-carboxamide is sourced from PubChem (CID 120505953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).