N-[4-[5-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-2-sulfanylidene-1H-imidazol-4-yl]-2-pyridinyl]acetamide

C19H19FN4OS2 — CID 11373031

IUPACN-[4-[5-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-2-sulfanylidene-1H-imidazol-4-yl]-2-pyridinyl]acetamide
SMILESCSCCn1c(-c2ccnc(NC(C)=O)c2)c(-c2ccc(F)cc2)[nH]c1=S
InChIInChI=1S/C19H19FN4OS2/c1-12(25)22-16-11-14(7-8-21-16)18-17(13-3-5-15(20)6-4-13)23-19(26)24(18)9-10-27-2/h3-8,11H,9-10H2,1-2H3,(H,23,26)(H,21,22,25)
InChIKeyVWKYFTRJWQANBU-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.74
Rot. Bonds6

About N-[4-[5-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-2-sulfanylidene-1H-imidazol-4-yl]-2-pyridinyl]acetamide

N-[4-[5-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-2-sulfanylidene-1H-imidazol-4-yl]-2-pyridinyl]acetamide (PubChem CID 11373031) has the molecular formula C19H19FN4OS2 and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[4-[5-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-2-sulfanylidene-1H-imidazol-4-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-2-sulfanylidene-1H-imidazol-4-yl]-2-pyridinyl]acetamide
PubChem CID11373031
Molecular FormulaC19H19FN4OS2
Molecular Weight402.52 g/mol
Exact Mass402.10
IUPAC NameN-[4-[5-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-2-sulfanylidene-1H-imidazol-4-yl]-2-pyridinyl]acetamide
SMILESCSCCn1c(-c2ccnc(NC(C)=O)c2)c(-c2ccc(F)cc2)[nH]c1=S
InChIInChI=1S/C19H19FN4OS2/c1-12(25)22-16-11-14(7-8-21-16)18-17(13-3-5-15(20)6-4-13)23-19(26)24(18)9-10-27-2/h3-8,11H,9-10H2,1-2H3,(H,23,26)(H,21,22,25)
InChIKeyVWKYFTRJWQANBU-UHFFFAOYSA-N
XLogP4.74
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[4-(2-acetamido-4-pyridinyl)-5-(4-fluorophenyl)-2-sulfanylidene-1H-imidazol-3-yl]piperidine-1-carboxylate
CID 11294662
N-[4-[5-(4-fluorophenyl)-3-methyl-2-[(R)-methylsulfinyl]imidazol-4-yl]-2-pyridinyl]acetamide
CID 53238836
N-[4-[5-(4-fluorophenyl)-2-[(R)-methylsulfinyl]-1H-imidazol-4-yl]-2-pyridinyl]acetamide
CID 53239062
N-[4-[7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide;hydrochloride
CID 22987997
N-[4-[5-(4-fluorophenyl)-1-oxido-3-(2-piperidin-1-ylethyl)imidazol-1-ium-4-yl]-2-pyridinyl]acetamide
CID 11750588
N-[4-[3-acetamido-7-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-6-yl]-2-pyridinyl]acetamide
CID 67240144
N-[4-[3-(4-fluorophenyl)-1-propan-2-ylpyrazol-4-yl]-2-pyridinyl]acetamide
CID 90465331
5-(4-fluorophenyl)-4-(2-fluoro-4-pyridinyl)-3-(2-hydroxyethyl)-1H-imidazol-2-one
CID 140547112
N-[4-[3-(4-fluorophenyl)-1-(oxan-4-ylmethyl)-4-oxo-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]acetamide
CID 121417743
N-[4-[5-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2-pyridinyl]acetamide
CID 167130345
N-[4-[2-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl]-2-pyridinyl]acetamide
CID 135220632
N-[4-[3-(6-fluoro-3-pyridinyl)-7-(hydroxymethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
CID 121411960

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-2-sulfanylidene-1H-imidazol-4-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-2-sulfanylidene-1H-imidazol-4-yl]-2-pyridinyl]acetamide (CID 11373031) is N-[4-[5-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-2-sulfanylidene-1H-imidazol-4-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-2-sulfanylidene-1H-imidazol-4-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-2-sulfanylidene-1H-imidazol-4-yl]-2-pyridinyl]acetamide is CSCCn1c(-c2ccnc(NC(C)=O)c2)c(-c2ccc(F)cc2)[nH]c1=S.
What is the InChIKey of N-[4-[5-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-2-sulfanylidene-1H-imidazol-4-yl]-2-pyridinyl]acetamide?
The InChIKey is VWKYFTRJWQANBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4OS2/c1-12(25)22-16-11-14(7-8-21-16)18-17(13-3-5-15(20)6-4-13)23-19(26)24(18)9-10-27-2/h3-8,11H,9-10H2,1-2H3,(H,23,26)(H,21,22,25).
What are the key properties of N-[4-[5-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-2-sulfanylidene-1H-imidazol-4-yl]-2-pyridinyl]acetamide?
N-[4-[5-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-2-sulfanylidene-1H-imidazol-4-yl]-2-pyridinyl]acetamide has a molecular weight of 402.52 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-fluorophenyl)-3-(2-methylsulfanylethyl)-2-sulfanylidene-1H-imidazol-4-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 11373031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).