N-(3-aminopropyl)-4,5-dibromo-N-methylthiophene-2-carboxamide

C9H12Br2N2OS — CID 81483467

IUPACN-(3-aminopropyl)-4,5-dibromo-N-methylthiophene-2-carboxamide
SMILESCN(CCCN)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H12Br2N2OS/c1-13(4-2-3-12)9(14)7-5-6(10)8(11)15-7/h5H,2-4,12H2,1H3
InChIKeyBRRGASNWOFSMKG-UHFFFAOYSA-N
MW356.08 g/mol
LogP2.69
Rot. Bonds4

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

N-(3-aminopropyl)-4,5-dibromo-N-methylthiophene-2-carboxamide (PubChem CID 81483467) has the molecular formula C9H12Br2N2OS and a molecular weight of 356.08 g/mol. Its IUPAC name is N-(3-aminopropyl)-4,5-dibromo-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4,5-dibromo-N-methylthiophene-2-carboxamide
PubChem CID81483467
Molecular FormulaC9H12Br2N2OS
Molecular Weight356.08 g/mol
Exact Mass353.90
IUPAC NameN-(3-aminopropyl)-4,5-dibromo-N-methylthiophene-2-carboxamide
SMILESCN(CCCN)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H12Br2N2OS/c1-13(4-2-3-12)9(14)7-5-6(10)8(11)15-7/h5H,2-4,12H2,1H3
InChIKeyBRRGASNWOFSMKG-UHFFFAOYSA-N
XLogP2.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.08
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 80537078
4,5-dibromo-N-(2-cyanoethyl)-N-methylthiophene-2-carboxamide
CID 78909595
N-(3-aminopropyl)-4,5-dibromothiophene-2-carboxamide
CID 80537023
4,5-dibromo-N-[(2-bromophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 78906851
4,5-dibromo-N-[(4-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 47180850
N-(2-aminoethyl)-N-benzyl-4,5-dibromothiophene-2-carboxamide
CID 104859435
4,5-dibromo-N-(1H-imidazol-2-ylmethyl)-N-methylthiophene-2-carboxamide
CID 63928272
4,5-dibromo-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 40727971
4,5-dibromo-N-[3-(diethylamino)propyl]-N-ethylthiophene-2-carboxamide
CID 102993490
4,5-dibromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 78968207
4,5-dibromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)thiophene-2-carboxamide
CID 47402715
4,5-dibromo-N-propan-2-yl-N-propylthiophene-2-carboxamide
CID 80536635

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4,5-dibromo-N-methylthiophene-2-carboxamide?
The IUPAC name of N-(3-aminopropyl)-4,5-dibromo-N-methylthiophene-2-carboxamide (CID 81483467) is N-(3-aminopropyl)-4,5-dibromo-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-4,5-dibromo-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-4,5-dibromo-N-methylthiophene-2-carboxamide is CN(CCCN)C(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of N-(3-aminopropyl)-4,5-dibromo-N-methylthiophene-2-carboxamide?
The InChIKey is BRRGASNWOFSMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Br2N2OS/c1-13(4-2-3-12)9(14)7-5-6(10)8(11)15-7/h5H,2-4,12H2,1H3.
What are the key properties of N-(3-aminopropyl)-4,5-dibromo-N-methylthiophene-2-carboxamide?
N-(3-aminopropyl)-4,5-dibromo-N-methylthiophene-2-carboxamide has a molecular weight of 356.08 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4,5-dibromo-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 81483467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).