2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-thiophen-2-ylacetamide

C11H14N4OS — CID 115287266

IUPAC2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-thiophen-2-ylacetamide
SMILESCn1ccnc1CNC(=O)C(N)c1cccs1
InChIInChI=1S/C11H14N4OS/c1-15-5-4-13-9(15)7-14-11(16)10(12)8-3-2-6-17-8/h2-6,10H,7,12H2,1H3,(H,14,16)
InChIKeyYFUWHFIMXZGYLS-UHFFFAOYSA-N
MW250.33 g/mol
LogP0.80
Rot. Bonds4

About 2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-thiophen-2-ylacetamide

2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 115287266) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound Name2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-thiophen-2-ylacetamide
PubChem CID115287266
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-thiophen-2-ylacetamide
SMILESCn1ccnc1CNC(=O)C(N)c1cccs1
InChIInChI=1S/C11H14N4OS/c1-15-5-4-13-9(15)7-14-11(16)10(12)8-3-2-6-17-8/h2-6,10H,7,12H2,1H3,(H,14,16)
InChIKeyYFUWHFIMXZGYLS-UHFFFAOYSA-N
XLogP0.80
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-2-ylacetamide
CID 114186154
2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylphenyl)acetamide
CID 106151713
(2R)-2-amino-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 79013544
2-amino-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 76994588
2-(1-methylimidazol-2-yl)-1-thiophen-2-ylethanol
CID 79745049
2-amino-N-[(6-methyl-3-pyridinyl)methyl]-2-thiophen-2-ylacetamide
CID 115287220
(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 130637454
2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 115287032
3-amino-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 63293672
2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 112669206
2-amino-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 115285812
2-amino-N-[(4-propan-2-ylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 115287113

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of 2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-thiophen-2-ylacetamide (CID 115287266) is 2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for 2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for 2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-thiophen-2-ylacetamide is Cn1ccnc1CNC(=O)C(N)c1cccs1.
What is the InChIKey of 2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is YFUWHFIMXZGYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-15-5-4-13-9(15)7-14-11(16)10(12)8-3-2-6-17-8/h2-6,10H,7,12H2,1H3,(H,14,16).
What are the key properties of 2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-thiophen-2-ylacetamide?
2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 250.33 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-methylimidazol-2-yl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 115287266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).