2-azido-N-methyl-N-(thiophen-2-ylmethyl)acetamide

C8H10N4OS — CID 61374959

IUPAC2-azido-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)CN=[N+]=[N-]
InChIInChI=1S/C8H10N4OS/c1-12(8(13)5-10-11-9)6-7-3-2-4-14-7/h2-4H,5-6H2,1H3
InChIKeyNCHKJYNNFDAEQV-UHFFFAOYSA-N
MW210.26 g/mol
LogP2.02
Rot. Bonds4

About 2-azido-N-methyl-N-(thiophen-2-ylmethyl)acetamide

2-azido-N-methyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 61374959) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is 2-azido-N-methyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-azido-N-methyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID61374959
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name2-azido-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)CN=[N+]=[N-]
InChIInChI=1S/C8H10N4OS/c1-12(8(13)5-10-11-9)6-7-3-2-4-14-7/h2-4H,5-6H2,1H3
InChIKeyNCHKJYNNFDAEQV-UHFFFAOYSA-N
XLogP2.02
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 115139118
4-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 79201475
4-amino-N-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 43527540
N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide
CID 78762396
2-(2-aminophenyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 43527191
2-ethyl-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]butanoic acid
CID 79803856
(2S)-2-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]propanoic acid
CID 104876158
2-(4-ethoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 84601120
3-ethyl-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 53016484
3-amino-N,2,2-trimethyl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119681753
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 78765929

Frequently Asked Questions

What is the IUPAC name of 2-azido-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-azido-N-methyl-N-(thiophen-2-ylmethyl)acetamide (CID 61374959) is 2-azido-N-methyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-azido-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-azido-N-methyl-N-(thiophen-2-ylmethyl)acetamide is CN(Cc1cccs1)C(=O)CN=[N+]=[N-].
What is the InChIKey of 2-azido-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is NCHKJYNNFDAEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c1-12(8(13)5-10-11-9)6-7-3-2-4-14-7/h2-4H,5-6H2,1H3.
What are the key properties of 2-azido-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
2-azido-N-methyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 210.26 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-methyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 61374959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).