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

C16H17N3O3S — CID 42814476

IUPAC2-[2-(furan-2-yl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCC1SC(c2ccco2)N(CC(=O)NCc2cccnc2)C1=O
InChIInChI=1S/C16H17N3O3S/c1-11-15(21)19(16(23-11)13-5-3-7-22-13)10-14(20)18-9-12-4-2-6-17-8-12/h2-8,11,16H,9-10H2,1H3,(H,18,20)
InChIKeyURYZNMGEAGOHEJ-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.95
Rot. Bonds5

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

2-[2-(furan-2-yl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 42814476) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID42814476
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name2-[2-(furan-2-yl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCC1SC(c2ccco2)N(CC(=O)NCc2cccnc2)C1=O
InChIInChI=1S/C16H17N3O3S/c1-11-15(21)19(16(23-11)13-5-3-7-22-13)10-14(20)18-9-12-4-2-6-17-8-12/h2-8,11,16H,9-10H2,1H3,(H,18,20)
InChIKeyURYZNMGEAGOHEJ-UHFFFAOYSA-N
XLogP1.95
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R,4R)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 99847485
N-[4-oxo-4-(pyridin-3-ylmethylamino)butyl]furan-2-carboxamide
CID 35511874
5-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazolidine-3-carboxamide
CID 74658751
2-[7-[(5-chlorothiophen-2-yl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 24734305
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 39890263
2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 12005350
2-[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 99106907
3-(furan-2-yl)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 1053382
3-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
CID 108963516
(E)-2-cyano-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 40527924
N-(pyridin-3-ylmethyl)-2-(6,9,9-trimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl)acetamide
CID 19056658
N'-[4-(furan-2-carbonylamino)-2,5-dimethoxyphenyl]-N-(pyridin-3-ylmethyl)butanediamide
CID 1139136

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[2-(furan-2-yl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 42814476) is 2-[2-(furan-2-yl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(furan-2-yl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(furan-2-yl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide is CC1SC(c2ccco2)N(CC(=O)NCc2cccnc2)C1=O.
What is the InChIKey of 2-[2-(furan-2-yl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is URYZNMGEAGOHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-11-15(21)19(16(23-11)13-5-3-7-22-13)10-14(20)18-9-12-4-2-6-17-8-12/h2-8,11,16H,9-10H2,1H3,(H,18,20).
What are the key properties of 2-[2-(furan-2-yl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[2-(furan-2-yl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 331.40 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 42814476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).