4-amino-N-[(5-bromothiophen-2-yl)methyl]-5-methylthiophene-2-carboxamide

C11H11BrN2OS2 — CID 61139794

IUPAC4-amino-N-[(5-bromothiophen-2-yl)methyl]-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NCc2ccc(Br)s2)cc1N
InChIInChI=1S/C11H11BrN2OS2/c1-6-8(13)4-9(16-6)11(15)14-5-7-2-3-10(12)17-7/h2-4H,5,13H2,1H3,(H,14,15)
InChIKeyDYPXTOLVDVDBMU-UHFFFAOYSA-N
MW331.26 g/mol
LogP3.39
Rot. Bonds3

About 4-amino-N-[(5-bromothiophen-2-yl)methyl]-5-methylthiophene-2-carboxamide

4-amino-N-[(5-bromothiophen-2-yl)methyl]-5-methylthiophene-2-carboxamide (PubChem CID 61139794) has the molecular formula C11H11BrN2OS2 and a molecular weight of 331.26 g/mol. Its IUPAC name is 4-amino-N-[(5-bromothiophen-2-yl)methyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(5-bromothiophen-2-yl)methyl]-5-methylthiophene-2-carboxamide
PubChem CID61139794
Molecular FormulaC11H11BrN2OS2
Molecular Weight331.26 g/mol
Exact Mass329.95
IUPAC Name4-amino-N-[(5-bromothiophen-2-yl)methyl]-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NCc2ccc(Br)s2)cc1N
InChIInChI=1S/C11H11BrN2OS2/c1-6-8(13)4-9(16-6)11(15)14-5-7-2-3-10(12)17-7/h2-4H,5,13H2,1H3,(H,14,15)
InChIKeyDYPXTOLVDVDBMU-UHFFFAOYSA-N
XLogP3.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(4-ethylphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 106899155
4-amino-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 61104453
N-[(5-bromothiophen-2-yl)methyl]-5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carboxamide
CID 79989768
4-amino-N-[(5-bromothiophen-2-yl)methyl]-3-iodobenzamide
CID 112750821
3-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide
CID 61140170
2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide
CID 115412848
N-[(5-bromothiophen-2-yl)methyl]-5-chlorothiophene-2-carboxamide
CID 32775594
N-[(5-bromothiophen-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107030604
2-bromo-N-[(5-bromothiophen-2-yl)methyl]-5-methylbenzamide
CID 80979827
5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methylbenzamide
CID 65307761
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443992
methyl 4-[[(4-amino-5-methylthiophene-2-carbonyl)amino]methyl]benzoate
CID 61113252

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-bromothiophen-2-yl)methyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-amino-N-[(5-bromothiophen-2-yl)methyl]-5-methylthiophene-2-carboxamide (CID 61139794) is 4-amino-N-[(5-bromothiophen-2-yl)methyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(5-bromothiophen-2-yl)methyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-amino-N-[(5-bromothiophen-2-yl)methyl]-5-methylthiophene-2-carboxamide is Cc1sc(C(=O)NCc2ccc(Br)s2)cc1N.
What is the InChIKey of 4-amino-N-[(5-bromothiophen-2-yl)methyl]-5-methylthiophene-2-carboxamide?
The InChIKey is DYPXTOLVDVDBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS2/c1-6-8(13)4-9(16-6)11(15)14-5-7-2-3-10(12)17-7/h2-4H,5,13H2,1H3,(H,14,15).
What are the key properties of 4-amino-N-[(5-bromothiophen-2-yl)methyl]-5-methylthiophene-2-carboxamide?
4-amino-N-[(5-bromothiophen-2-yl)methyl]-5-methylthiophene-2-carboxamide has a molecular weight of 331.26 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-bromothiophen-2-yl)methyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 61139794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).