2-imidazol-1-yl-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide

C17H18N4OS — CID 110222226

IUPAC2-imidazol-1-yl-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide
SMILESCc1cccnc1C(Cc1ccsc1)NC(=O)Cn1ccnc1
InChIInChI=1S/C17H18N4OS/c1-13-3-2-5-19-17(13)15(9-14-4-8-23-11-14)20-16(22)10-21-7-6-18-12-21/h2-8,11-12,15H,9-10H2,1H3,(H,20,22)
InChIKeyARIOGSHFJUHNJG-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.75
Rot. Bonds6

About 2-imidazol-1-yl-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide

2-imidazol-1-yl-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide (PubChem CID 110222226) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide
PubChem CID110222226
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name2-imidazol-1-yl-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide
SMILESCc1cccnc1C(Cc1ccsc1)NC(=O)Cn1ccnc1
InChIInChI=1S/C17H18N4OS/c1-13-3-2-5-19-17(13)15(9-14-4-8-23-11-14)20-16(22)10-21-7-6-18-12-21/h2-8,11-12,15H,9-10H2,1H3,(H,20,22)
InChIKeyARIOGSHFJUHNJG-UHFFFAOYSA-N
XLogP2.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 92562309
N-methyl-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 62603185
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide
CID 110222235
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-imidazol-1-ylpropanamide
CID 46955492
N-[(1S)-1-pyridin-2-yl-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 92577329
2-pyrazol-1-yl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide
CID 110222101
(1S)-1-(3-methyl-2-pyridinyl)-N-[(2-pyrazol-1-ylphenyl)methyl]-2-thiophen-3-ylethanamine
CID 92562330
N,N-dimethyl-5-[[[(1S)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]amino]methyl]pyrimidin-2-amine
CID 92562333
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-imidazol-1-ylacetamide
CID 36795605
N-(1-thiophen-3-ylpropan-2-yl)imidazole-1-carboxamide
CID 61477612
N-[(3,4-dimethoxyphenyl)methyl]-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 46955539
N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-pyrrol-1-ylacetamide
CID 125171906

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide?
The IUPAC name of 2-imidazol-1-yl-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide (CID 110222226) is 2-imidazol-1-yl-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide.
What is the SMILES notation for 2-imidazol-1-yl-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide?
The canonical SMILES for 2-imidazol-1-yl-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide is Cc1cccnc1C(Cc1ccsc1)NC(=O)Cn1ccnc1.
What is the InChIKey of 2-imidazol-1-yl-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide?
The InChIKey is ARIOGSHFJUHNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-13-3-2-5-19-17(13)15(9-14-4-8-23-11-14)20-16(22)10-21-7-6-18-12-21/h2-8,11-12,15H,9-10H2,1H3,(H,20,22).
What are the key properties of 2-imidazol-1-yl-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide?
2-imidazol-1-yl-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide has a molecular weight of 326.43 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide is sourced from PubChem (CID 110222226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).