N-(furan-2-ylmethyl)-2-[3-[(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide

C21H20N4O3S — CID 1417203

IUPACN-(furan-2-ylmethyl)-2-[3-[(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide
SMILESC/N=C1/SC(=Cc2cn(CC(=O)NCc3ccco3)c3ccccc23)C(=O)N1C
InChIInChI=1S/C21H20N4O3S/c1-22-21-24(2)20(27)18(29-21)10-14-12-25(17-8-4-3-7-16(14)17)13-19(26)23-11-15-6-5-9-28-15/h3-10,12H,11,13H2,1-2H3,(H,23,26)/b18-10?,22-21+
InChIKeyRFMPMURUFQLZBC-RLSXTSSUSA-N
MW408.48 g/mol
LogP3.08
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-[3-[(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide

N-(furan-2-ylmethyl)-2-[3-[(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide (PubChem CID 1417203) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-[(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-[(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide
PubChem CID1417203
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC NameN-(furan-2-ylmethyl)-2-[3-[(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide
SMILESC/N=C1/SC(=Cc2cn(CC(=O)NCc3ccco3)c3ccccc23)C(=O)N1C
InChIInChI=1S/C21H20N4O3S/c1-22-21-24(2)20(27)18(29-21)10-14-12-25(17-8-4-3-7-16(14)17)13-19(26)23-11-15-6-5-9-28-15/h3-10,12H,11,13H2,1-2H3,(H,23,26)/b18-10?,22-21+
InChIKeyRFMPMURUFQLZBC-RLSXTSSUSA-N
XLogP3.08
TPSA79.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-2-[3-[[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide
CID 1233260
2-[3-[(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide
CID 4218373
N-(furan-2-ylmethyl)-2-[3-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide
CID 1321903
N-(furan-2-ylmethyl)-2-[3-[(Z)-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide
CID 126154647
2-[3-[(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetonitrile
CID 1283280
2-[3-[[3-(furan-2-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetic acid
CID 5024109
2-[3-[(Z)-(3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide
CID 6058252
2-[3-[(Z)-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene)methyl]-7-ethylindol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 126132412
N-(furan-2-ylmethyl)-2-[3-[(Z)-[2-(4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-methylindol-1-yl]acetamide
CID 86206579
2-[5-bromo-3-[(Z)-(2,4-dioxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 126142431
2-[3-[(Z)-(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]-7-ethylindol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 126151716
2-[5-bromo-3-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 126132598

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-[(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-[(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide (CID 1417203) is N-(furan-2-ylmethyl)-2-[3-[(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-[(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-[(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide is C/N=C1/SC(=Cc2cn(CC(=O)NCc3ccco3)c3ccccc23)C(=O)N1C.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-[(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide?
The InChIKey is RFMPMURUFQLZBC-RLSXTSSUSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-22-21-24(2)20(27)18(29-21)10-14-12-25(17-8-4-3-7-16(14)17)13-19(26)23-11-15-6-5-9-28-15/h3-10,12H,11,13H2,1-2H3,(H,23,26)/b18-10?,22-21+.
What are the key properties of N-(furan-2-ylmethyl)-2-[3-[(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide?
N-(furan-2-ylmethyl)-2-[3-[(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide has a molecular weight of 408.48 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[3-[(3-methyl-2-methylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide is sourced from PubChem (CID 1417203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).