2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

C18H18N2O2S — CID 112764900

IUPAC2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)Cc2coc3cc4c(cc23)CCC4)sc1C
InChIInChI=1S/C18H18N2O2S/c1-10-11(2)23-18(19-10)20-17(21)8-14-9-22-16-7-13-5-3-4-12(13)6-15(14)16/h6-7,9H,3-5,8H2,1-2H3,(H,19,20,21)
InChIKeyMOCRCSUEUSRHFY-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.18
Rot. Bonds3

About 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (PubChem CID 112764900) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
PubChem CID112764900
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)Cc2coc3cc4c(cc23)CCC4)sc1C
InChIInChI=1S/C18H18N2O2S/c1-10-11(2)23-18(19-10)20-17(21)8-14-9-22-16-7-13-5-3-4-12(13)6-15(14)16/h6-7,9H,3-5,8H2,1-2H3,(H,19,20,21)
InChIKeyMOCRCSUEUSRHFY-UHFFFAOYSA-N
XLogP4.18
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide with MolForge

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Related Compounds

N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 2538484
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2501755
N-tert-butyl-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 9451645
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(5-methyl-1,3-oxazol-2-yl)acetamide
CID 137362627
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 22830887
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 26713640
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4-methylsulfonylphenyl)acetamide
CID 26213313
(2R)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanoic acid
CID 119244207
2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-2-methylbutanoic acid
CID 119199364
diethyl 2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]propanedioate
CID 33242600
N-(4-amino-3,5-dichlorophenyl)-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 4847739
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(2-methoxyphenyl)acetamide
CID 2641753

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (CID 112764900) is 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is Cc1nc(NC(=O)Cc2coc3cc4c(cc23)CCC4)sc1C.
What is the InChIKey of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is MOCRCSUEUSRHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-10-11(2)23-18(19-10)20-17(21)8-14-9-22-16-7-13-5-3-4-12(13)6-15(14)16/h6-7,9H,3-5,8H2,1-2H3,(H,19,20,21).
What are the key properties of 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 326.42 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 112764900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).