2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide

C12H15BrN4OS — CID 115290169

IUPAC2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide
SMILESCN(Cc1cc(Br)cs1)C(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C12H15BrN4OS/c1-16(6-10-3-9(13)7-19-10)12(18)11(14)8-4-15-17(2)5-8/h3-5,7,11H,6,14H2,1-2H3
InChIKeyRATCMRQWJGWEIZ-UHFFFAOYSA-N
MW343.25 g/mol
LogP1.90
Rot. Bonds4

About 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide

2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 115290169) has the molecular formula C12H15BrN4OS and a molecular weight of 343.25 g/mol. Its IUPAC name is 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID115290169
Molecular FormulaC12H15BrN4OS
Molecular Weight343.25 g/mol
Exact Mass342.01
IUPAC Name2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide
SMILESCN(Cc1cc(Br)cs1)C(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C12H15BrN4OS/c1-16(6-10-3-9(13)7-19-10)12(18)11(14)8-4-15-17(2)5-8/h3-5,7,11H,6,14H2,1-2H3
InChIKeyRATCMRQWJGWEIZ-UHFFFAOYSA-N
XLogP1.90
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide 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

2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115289817
2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115289693
2-amino-N-methyl-2-(1-methylpyrazol-4-yl)-N-(2-methylsulfanylethyl)acetamide
CID 112658924
cis-(1R,2S)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95235294
2-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115290215
ethyl (2S)-2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 93311142
2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanediamide
CID 54872226
3-amino-N-[(4-bromothiophen-2-yl)methyl]-2-methoxy-N-methylpropanamide
CID 106112087
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylpropanamide
CID 62670361
3-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methylbutanamide
CID 60947450
1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
CID 61059409
2-amino-N-cyclopropyl-N-ethyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115289735

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide (CID 115290169) is 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide is CN(Cc1cc(Br)cs1)C(=O)C(N)c1cnn(C)c1.
What is the InChIKey of 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is RATCMRQWJGWEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4OS/c1-16(6-10-3-9(13)7-19-10)12(18)11(14)8-4-15-17(2)5-8/h3-5,7,11H,6,14H2,1-2H3.
What are the key properties of 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide?
2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 343.25 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 115290169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).