2-(3-methylimidazol-4-yl)-2-(thiophen-2-ylmethylamino)acetamide

C11H14N4OS — CID 66117109

IUPAC2-(3-methylimidazol-4-yl)-2-(thiophen-2-ylmethylamino)acetamide
SMILESCn1cncc1C(NCc1cccs1)C(N)=O
InChIInChI=1S/C11H14N4OS/c1-15-7-13-6-9(15)10(11(12)16)14-5-8-3-2-4-17-8/h2-4,6-7,10,14H,5H2,1H3,(H2,12,16)
InChIKeyNCRGNWPFYGKINR-UHFFFAOYSA-N
MW250.33 g/mol
LogP0.80
Rot. Bonds5

About 2-(3-methylimidazol-4-yl)-2-(thiophen-2-ylmethylamino)acetamide

2-(3-methylimidazol-4-yl)-2-(thiophen-2-ylmethylamino)acetamide (PubChem CID 66117109) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-(3-methylimidazol-4-yl)-2-(thiophen-2-ylmethylamino)acetamide.

Molecular Properties

Compound Name2-(3-methylimidazol-4-yl)-2-(thiophen-2-ylmethylamino)acetamide
PubChem CID66117109
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name2-(3-methylimidazol-4-yl)-2-(thiophen-2-ylmethylamino)acetamide
SMILESCn1cncc1C(NCc1cccs1)C(N)=O
InChIInChI=1S/C11H14N4OS/c1-15-7-13-6-9(15)10(11(12)16)14-5-8-3-2-4-17-8/h2-4,6-7,10,14H,5H2,1H3,(H2,12,16)
InChIKeyNCRGNWPFYGKINR-UHFFFAOYSA-N
XLogP0.80
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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-(4-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 54891569
2-thiophen-2-yl-2-(thiophen-2-ylmethylamino)acetic acid
CID 61347911
2-(3,4-dihydroxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 54890942
2-(4-bromo-3-methylphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 66480373
2-(2-ethoxyphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 60997221
N-[(3-methylimidazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 62999179
2-(2-chloroanilino)-2-(3-methylimidazol-4-yl)acetamide
CID 66119000
2-(4-cyclopropylphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 79983660
(2S)-2-(thiophen-2-ylmethylamino)butanediamide
CID 151018990
2-(3-chloro-5-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 114453595
2-(5-bromo-2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 54891133
3-(thiophen-2-ylmethylamino)butanoic acid
CID 43536918

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylimidazol-4-yl)-2-(thiophen-2-ylmethylamino)acetamide?
The IUPAC name of 2-(3-methylimidazol-4-yl)-2-(thiophen-2-ylmethylamino)acetamide (CID 66117109) is 2-(3-methylimidazol-4-yl)-2-(thiophen-2-ylmethylamino)acetamide.
What is the SMILES notation for 2-(3-methylimidazol-4-yl)-2-(thiophen-2-ylmethylamino)acetamide?
The canonical SMILES for 2-(3-methylimidazol-4-yl)-2-(thiophen-2-ylmethylamino)acetamide is Cn1cncc1C(NCc1cccs1)C(N)=O.
What is the InChIKey of 2-(3-methylimidazol-4-yl)-2-(thiophen-2-ylmethylamino)acetamide?
The InChIKey is NCRGNWPFYGKINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-15-7-13-6-9(15)10(11(12)16)14-5-8-3-2-4-17-8/h2-4,6-7,10,14H,5H2,1H3,(H2,12,16).
What are the key properties of 2-(3-methylimidazol-4-yl)-2-(thiophen-2-ylmethylamino)acetamide?
2-(3-methylimidazol-4-yl)-2-(thiophen-2-ylmethylamino)acetamide has a molecular weight of 250.33 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylimidazol-4-yl)-2-(thiophen-2-ylmethylamino)acetamide is sourced from PubChem (CID 66117109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).