N-(2-aminoethyl)-2-bromo-5-methylthiophene-3-carboxamide

C8H11BrN2OS — CID 119384710

IUPACN-(2-aminoethyl)-2-bromo-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)NCCN)c(Br)s1
InChIInChI=1S/C8H11BrN2OS/c1-5-4-6(7(9)13-5)8(12)11-3-2-10/h4H,2-3,10H2,1H3,(H,11,12)
InChIKeyDKMAZFKGWUFVCB-UHFFFAOYSA-N
MW263.16 g/mol
LogP1.51
Rot. Bonds3

About N-(2-aminoethyl)-2-bromo-5-methylthiophene-3-carboxamide

N-(2-aminoethyl)-2-bromo-5-methylthiophene-3-carboxamide (PubChem CID 119384710) has the molecular formula C8H11BrN2OS and a molecular weight of 263.16 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-bromo-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-bromo-5-methylthiophene-3-carboxamide
PubChem CID119384710
Molecular FormulaC8H11BrN2OS
Molecular Weight263.16 g/mol
Exact Mass261.98
IUPAC NameN-(2-aminoethyl)-2-bromo-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)NCCN)c(Br)s1
InChIInChI=1S/C8H11BrN2OS/c1-5-4-6(7(9)13-5)8(12)11-3-2-10/h4H,2-3,10H2,1H3,(H,11,12)
InChIKeyDKMAZFKGWUFVCB-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-5-methyl-2-(propanoylamino)thiophene-3-carboxamide
CID 39162635
N-(2-aminoethyl)-5-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide
CID 39162699
N-(2-aminoethyl)-5-methyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxamide
CID 39162691
(2R)-2-[(2-bromo-5-methylthiophene-3-carbonyl)amino]propanoic acid
CID 119370174
N-(2-aminoethyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide;hydrochloride
CID 119383494
N-[3-(2-aminoethylcarbamoyl)-5-methylthiophen-2-yl]pyridine-3-carboxamide
CID 39162703
N-(2-aminoethyl)-2-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]benzamide;hydrochloride
CID 120604396
N-(2-aminoethyl)-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 53397288
4-amino-N-(2-aminoethyl)-2-bromobenzamide
CID 110487153
methyl (2R)-2-[(2-bromo-5-methylthiophene-3-carbonyl)amino]-2-methylbutanoate
CID 97226260
N-(2-aminoethyl)-3,5-dibromobenzamide
CID 107971787
2,5-dibromo-N-(4-hydroxybutyl)thiophene-3-carboxamide
CID 107168288

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-bromo-5-methylthiophene-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-2-bromo-5-methylthiophene-3-carboxamide (CID 119384710) is N-(2-aminoethyl)-2-bromo-5-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-2-bromo-5-methylthiophene-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-2-bromo-5-methylthiophene-3-carboxamide is Cc1cc(C(=O)NCCN)c(Br)s1.
What is the InChIKey of N-(2-aminoethyl)-2-bromo-5-methylthiophene-3-carboxamide?
The InChIKey is DKMAZFKGWUFVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2OS/c1-5-4-6(7(9)13-5)8(12)11-3-2-10/h4H,2-3,10H2,1H3,(H,11,12).
What are the key properties of N-(2-aminoethyl)-2-bromo-5-methylthiophene-3-carboxamide?
N-(2-aminoethyl)-2-bromo-5-methylthiophene-3-carboxamide has a molecular weight of 263.16 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-bromo-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 119384710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).