2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

C19H15FN4O2S2 — CID 656147

IUPAC2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1ncc(-c2ccc(F)cc2)n1Cc1ccco1)Nc1nccs1
InChIInChI=1S/C19H15FN4O2S2/c20-14-5-3-13(4-6-14)16-10-22-19(24(16)11-15-2-1-8-26-15)28-12-17(25)23-18-21-7-9-27-18/h1-10H,11-12H2,(H,21,23,25)
InChIKeyXPIAGKSUGHIYPH-UHFFFAOYSA-N
MW414.49 g/mol
LogP4.52
Rot. Bonds7

About 2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 656147) has the molecular formula C19H15FN4O2S2 and a molecular weight of 414.49 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID656147
Molecular FormulaC19H15FN4O2S2
Molecular Weight414.49 g/mol
Exact Mass414.06
IUPAC Name2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1ncc(-c2ccc(F)cc2)n1Cc1ccco1)Nc1nccs1
InChIInChI=1S/C19H15FN4O2S2/c20-14-5-3-13(4-6-14)16-10-22-19(24(16)11-15-2-1-8-26-15)28-12-17(25)23-18-21-7-9-27-18/h1-10H,11-12H2,(H,21,23,25)
InChIKeyXPIAGKSUGHIYPH-UHFFFAOYSA-N
XLogP4.52
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_5_A(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 656147) is 2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is O=C(CSc1ncc(-c2ccc(F)cc2)n1Cc1ccco1)Nc1nccs1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is XPIAGKSUGHIYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2S2/c20-14-5-3-13(4-6-14)16-10-22-19(24(16)11-15-2-1-8-26-15)28-12-17(25)23-18-21-7-9-27-18/h1-10H,11-12H2,(H,21,23,25).
What are the key properties of 2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 414.49 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 656147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).