N-propan-2-yl-2-(2-thiophen-2-ylimidazol-1-yl)propanamide

C13H17N3OS — CID 116621681

IUPACN-propan-2-yl-2-(2-thiophen-2-ylimidazol-1-yl)propanamide
SMILESCC(C)NC(=O)C(C)n1ccnc1-c1cccs1
InChIInChI=1S/C13H17N3OS/c1-9(2)15-13(17)10(3)16-7-6-14-12(16)11-5-4-8-18-11/h4-10H,1-3H3,(H,15,17)
InChIKeyUPHHWKDOSBSNOY-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.70
Rot. Bonds4

About N-propan-2-yl-2-(2-thiophen-2-ylimidazol-1-yl)propanamide

N-propan-2-yl-2-(2-thiophen-2-ylimidazol-1-yl)propanamide (PubChem CID 116621681) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-propan-2-yl-2-(2-thiophen-2-ylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(2-thiophen-2-ylimidazol-1-yl)propanamide
PubChem CID116621681
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-propan-2-yl-2-(2-thiophen-2-ylimidazol-1-yl)propanamide
SMILESCC(C)NC(=O)C(C)n1ccnc1-c1cccs1
InChIInChI=1S/C13H17N3OS/c1-9(2)15-13(17)10(3)16-7-6-14-12(16)11-5-4-8-18-11/h4-10H,1-3H3,(H,15,17)
InChIKeyUPHHWKDOSBSNOY-UHFFFAOYSA-N
XLogP2.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(2-thiophen-2-ylimidazol-1-yl)propanehydrazide
CID 63582623
4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-ol
CID 64719272
2-(2-methylimidazol-1-yl)-N-propan-2-ylpropanamide
CID 63810179
1-(difluoromethyl)-2-thiophen-2-ylimidazole
CID 116621597
ethyl 2-(2-thiophen-2-ylimidazol-1-yl)butanoate
CID 64662267
methyl 2-amino-2-methyl-4-(2-thiophen-2-ylimidazol-1-yl)pentanoate
CID 64706063
N-tert-butyl-2-(2-thiophen-2-ylimidazol-1-yl)acetamide
CID 113353806
N-ethyl-4-(2-thiophen-2-ylimidazol-1-yl)pentan-2-amine
CID 64707252
formic acid;3-[1-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine
CID 163338192
methyl 2-(methylamino)-4-(2-thiophen-2-ylimidazol-1-yl)butanoate
CID 55143949
1-(4-methylpentyl)-2-thiophen-2-ylimidazole
CID 116621649
3-amino-5-methyl-2-(2-thiophen-2-ylimidazol-1-yl)hexan-1-ol
CID 114357734

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(2-thiophen-2-ylimidazol-1-yl)propanamide?
The IUPAC name of N-propan-2-yl-2-(2-thiophen-2-ylimidazol-1-yl)propanamide (CID 116621681) is N-propan-2-yl-2-(2-thiophen-2-ylimidazol-1-yl)propanamide.
What is the SMILES notation for N-propan-2-yl-2-(2-thiophen-2-ylimidazol-1-yl)propanamide?
The canonical SMILES for N-propan-2-yl-2-(2-thiophen-2-ylimidazol-1-yl)propanamide is CC(C)NC(=O)C(C)n1ccnc1-c1cccs1.
What is the InChIKey of N-propan-2-yl-2-(2-thiophen-2-ylimidazol-1-yl)propanamide?
The InChIKey is UPHHWKDOSBSNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9(2)15-13(17)10(3)16-7-6-14-12(16)11-5-4-8-18-11/h4-10H,1-3H3,(H,15,17).
What are the key properties of N-propan-2-yl-2-(2-thiophen-2-ylimidazol-1-yl)propanamide?
N-propan-2-yl-2-(2-thiophen-2-ylimidazol-1-yl)propanamide has a molecular weight of 263.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(2-thiophen-2-ylimidazol-1-yl)propanamide is sourced from PubChem (CID 116621681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).