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

C20H18N4O2S2 — CID 650898

IUPAC2-[1-(furan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)s1
InChIInChI=1S/C20H18N4O2S2/c1-14-10-21-19(28-14)23-18(25)13-27-20-22-11-17(15-6-3-2-4-7-15)24(20)12-16-8-5-9-26-16/h2-11H,12-13H2,1H3,(H,21,23,25)
InChIKeyFIPGYNWVOVQRRX-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.69
Rot. Bonds7

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

2-[1-(furan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 650898) 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-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(furan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID650898
Molecular FormulaC20H18N4O2S2
Molecular Weight410.52 g/mol
Exact Mass410.09
IUPAC Name2-[1-(furan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)s1
InChIInChI=1S/C20H18N4O2S2/c1-14-10-21-19(28-14)23-18(25)13-27-20-22-11-17(15-6-3-2-4-7-15)24(20)12-16-8-5-9-26-16/h2-11H,12-13H2,1H3,(H,21,23,25)
InChIKeyFIPGYNWVOVQRRX-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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Related Compounds

Furan-2-carboxylic acid (4-phenyl-5-pyridin-4-yl-thiazol-2-yl)-amide
CID 72197880
N-[4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-furamide
CID 2813253
N-(2,5-dimethylphenyl)-2-((1-(furan-2-ylmethyl)-1H-imidazol-2-yl)thio)acetamide
CID 24891909
{2-[2-(4-Furan-2-ylmethyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetylamino]-thiazol-4-yl}-acetic acid ethyl ester
CID 3177765
2-(3-Benzyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
CID 646123
2-[1-Furan-2-ylmethyl-5-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 646858
N-(5-{2-[5-(4-Fluoro-phenyl)-1-furan-2-ylmethyl-1H-imidazol-2-ylsulfanyl]-acetylamino}-2-methyl-phenyl)-propionamide
CID 650373
2-[5-(2-Methyl-furan-3-yl)-4-phenethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-thiazol-2-yl-acetamide
CID 652746
2-{5-[(2,4-Dimethyl-phenylamino)-methyl]-4-furan-2-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl}-N-(5-methyl-thiazol-2-yl)-acetamide
CID 654810
N-{2-[(Furan-2-ylmethyl)-amino]-4'-methyl-[4,5']bithiazolyl-2'-yl}-benzamide
CID 655046
2-[4-(2-Ethoxy-phenyl)-5-(2-methyl-furan-3-yl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-thiazol-2-yl-acetamide
CID 655196
N-(2-furanylmethyl)-4-(2-methyl-3-imidazo[1,2-a]pyridinyl)-2-thiazolamine
CID 697312

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[1-(furan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 650898) is 2-[1-(furan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-(furan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-(furan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnc(NC(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)s1.
What is the InChIKey of 2-[1-(furan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is FIPGYNWVOVQRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S2/c1-14-10-21-19(28-14)23-18(25)13-27-20-22-11-17(15-6-3-2-4-7-15)24(20)12-16-8-5-9-26-16/h2-11H,12-13H2,1H3,(H,21,23,25).
What are the key properties of 2-[1-(furan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-[1-(furan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-N-(5-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-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 650898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).