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

C20H18N4O2S2 — CID 46916309

IUPAC2-[1-(furan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)n1
InChIInChI=1S/C20H18N4O2S2/c1-14-12-27-19(22-14)23-18(25)13-28-20-21-10-17(15-6-3-2-4-7-15)24(20)11-16-8-5-9-26-16/h2-10,12H,11,13H2,1H3,(H,22,23,25)
InChIKeyMWGMGYLBPRCCGI-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.69
Rot. Bonds7

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

2-[1-(furan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 46916309) has the molecular formula C20H18N4O2S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-[1-(furan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(furan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID46916309
Molecular FormulaC20H18N4O2S2
Molecular Weight410.52 g/mol
Exact Mass410.09
IUPAC Name2-[1-(furan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)n1
InChIInChI=1S/C20H18N4O2S2/c1-14-12-27-19(22-14)23-18(25)13-28-20-21-10-17(15-6-3-2-4-7-15)24(20)11-16-8-5-9-26-16/h2-10,12H,11,13H2,1H3,(H,22,23,25)
InChIKeyMWGMGYLBPRCCGI-UHFFFAOYSA-N
XLogP4.69
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.69
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-[1-(furan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[1-(furan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 46916309) is 2-[1-(furan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-(furan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-(furan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)n1.
What is the InChIKey of 2-[1-(furan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is MWGMGYLBPRCCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S2/c1-14-12-27-19(22-14)23-18(25)13-28-20-21-10-17(15-6-3-2-4-7-15)24(20)11-16-8-5-9-26-16/h2-10,12H,11,13H2,1H3,(H,22,23,25).
What are the key properties of 2-[1-(furan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[1-(furan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 410.52 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 46916309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).