N-tert-butyl-2-(2-thiophen-2-ylimidazol-1-yl)acetamide

C13H17N3OS — CID 113353806

IUPACN-tert-butyl-2-(2-thiophen-2-ylimidazol-1-yl)acetamide
SMILESCC(C)(C)NC(=O)Cn1ccnc1-c1cccs1
InChIInChI=1S/C13H17N3OS/c1-13(2,3)15-11(17)9-16-7-6-14-12(16)10-5-4-8-18-10/h4-8H,9H2,1-3H3,(H,15,17)
InChIKeyDLNRXCPSLDPBDI-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.53
Rot. Bonds3

About N-tert-butyl-2-(2-thiophen-2-ylimidazol-1-yl)acetamide

N-tert-butyl-2-(2-thiophen-2-ylimidazol-1-yl)acetamide (PubChem CID 113353806) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-tert-butyl-2-(2-thiophen-2-ylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-thiophen-2-ylimidazol-1-yl)acetamide
PubChem CID113353806
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-tert-butyl-2-(2-thiophen-2-ylimidazol-1-yl)acetamide
SMILESCC(C)(C)NC(=O)Cn1ccnc1-c1cccs1
InChIInChI=1S/C13H17N3OS/c1-13(2,3)15-11(17)9-16-7-6-14-12(16)10-5-4-8-18-10/h4-8H,9H2,1-3H3,(H,15,17)
InChIKeyDLNRXCPSLDPBDI-UHFFFAOYSA-N
XLogP2.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[(2-thiophen-2-ylimidazol-1-yl)methyl]prop-2-en-1-amine
CID 103072252
N-(1-acetylpiperidin-4-yl)-2-(2-thiophen-2-ylimidazol-1-yl)acetamide
CID 75446463
3-methyl-4-(2-thiophen-2-ylimidazol-1-yl)but-2-enoic acid
CID 76975064
N-(3-chlorophenyl)-2-(2-thiophen-2-ylimidazol-1-yl)acetamide
CID 115917971
1-(tert-butylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol
CID 115475685
2-methyl-3-(2-thiophen-2-ylimidazol-1-yl)propanehydrazide
CID 63582623
2-(2-aminoimidazol-1-yl)-N-tert-butylacetamide
CID 165483273
2,2-dimethyl-4-(2-thiophen-2-ylimidazol-1-yl)butanenitrile
CID 65256857
N-tert-butyl-2-(2-thiophen-2-ylpyrrolo[2,3-b]pyridin-1-yl)acetamide
CID 16676126
1-heptyl-2-thiophen-2-ylimidazole
CID 116621595
1-(2-methylsulfonylethyl)-2-thiophen-2-ylimidazole
CID 75432637
6-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol
CID 113353810

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-thiophen-2-ylimidazol-1-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(2-thiophen-2-ylimidazol-1-yl)acetamide (CID 113353806) is N-tert-butyl-2-(2-thiophen-2-ylimidazol-1-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(2-thiophen-2-ylimidazol-1-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(2-thiophen-2-ylimidazol-1-yl)acetamide is CC(C)(C)NC(=O)Cn1ccnc1-c1cccs1.
What is the InChIKey of N-tert-butyl-2-(2-thiophen-2-ylimidazol-1-yl)acetamide?
The InChIKey is DLNRXCPSLDPBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-13(2,3)15-11(17)9-16-7-6-14-12(16)10-5-4-8-18-10/h4-8H,9H2,1-3H3,(H,15,17).
What are the key properties of N-tert-butyl-2-(2-thiophen-2-ylimidazol-1-yl)acetamide?
N-tert-butyl-2-(2-thiophen-2-ylimidazol-1-yl)acetamide has a molecular weight of 263.37 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-thiophen-2-ylimidazol-1-yl)acetamide is sourced from PubChem (CID 113353806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).