N-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)furan-2-carboxamide

C9H8N2O3S — CID 135449187

IUPACN-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)furan-2-carboxamide
SMILESCC1S/C(=N\C(=O)c2ccco2)NC1=O
InChIInChI=1S/C9H8N2O3S/c1-5-7(12)10-9(15-5)11-8(13)6-3-2-4-14-6/h2-5H,1H3,(H,10,11,12,13)
InChIKeyFDLRGFCBXMSKBP-UHFFFAOYSA-N
MW224.24 g/mol
LogP1.03
Rot. Bonds1

About N-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)furan-2-carboxamide

N-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)furan-2-carboxamide (PubChem CID 135449187) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is N-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)furan-2-carboxamide
PubChem CID135449187
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC NameN-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)furan-2-carboxamide
SMILESCC1S/C(=N\C(=O)c2ccco2)NC1=O
InChIInChI=1S/C9H8N2O3S/c1-5-7(12)10-9(15-5)11-8(13)6-3-2-4-14-6/h2-5H,1H3,(H,10,11,12,13)
InChIKeyFDLRGFCBXMSKBP-UHFFFAOYSA-N
XLogP1.03
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl N,N'-bis(furan-2-carbonyl)carbamimidoselenoate
CID 51032934
2-({[(Cyanoimino)(methylthio)methyl]amino}methyl)furan
CID 2726471
N-(4-amino-2-((2-hydroxyethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)furan-2-carboxamide
CID 135831405
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2-furyl)acrylamide
CID 801586
Ethyl 2-(furan-2-carbonylimino)-3,4-dimethyl-1,3-thiazole-5-carboxylate
CID 4576653
N-(4-amino-6-oxo-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-1,6-dihydropyrimidin-5-yl)furan-2-carboxamide
CID 135463297
methyl N,N'-bis(furan-2-carbonyl)carbamimidothioate
CID 51032933
N-(5,6-dihydroimidazo[2,1-c][1,2,4]dithiazol-3-ylidene)furan-2-carboxamide
CID 9921301
2-Furancarboxamide, N-(aminoiminomethyl)-
CID 3039131
Furan-2-yl-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
CID 4590313
N-(4-amino-6-oxo-2-(propylthio)-1,6-dihydropyrimidin-5-yl)furan-2-carboxamide
CID 135516367
Methyl 2-((4-amino-5-(furan-2-carboxamido)-6-oxo-1,6-dihydropyrimidin-2-yl)thio)propanoate
CID 135538167

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)furan-2-carboxamide?
The IUPAC name of N-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)furan-2-carboxamide (CID 135449187) is N-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)furan-2-carboxamide.
What is the SMILES notation for N-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)furan-2-carboxamide?
The canonical SMILES for N-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)furan-2-carboxamide is CC1S/C(=N\C(=O)c2ccco2)NC1=O.
What is the InChIKey of N-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)furan-2-carboxamide?
The InChIKey is FDLRGFCBXMSKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c1-5-7(12)10-9(15-5)11-8(13)6-3-2-4-14-6/h2-5H,1H3,(H,10,11,12,13).
What are the key properties of N-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)furan-2-carboxamide?
N-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)furan-2-carboxamide has a molecular weight of 224.24 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)furan-2-carboxamide is sourced from PubChem (CID 135449187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).