N'-[2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]furan-2-carbohydrazide

C14H16N4O4S — CID 135452207

IUPACN'-[2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]furan-2-carbohydrazide
SMILESCCc1c(C)nc(SCC(=O)NNC(=O)c2ccco2)[nH]c1=O
InChIInChI=1S/C14H16N4O4S/c1-3-9-8(2)15-14(16-12(9)20)23-7-11(19)17-18-13(21)10-5-4-6-22-10/h4-6H,3,7H2,1-2H3,(H,17,19)(H,18,21)(H,15,16,20)
InChIKeyHEWURWGLWMBDFR-UHFFFAOYSA-N
MW336.37 g/mol
LogP0.79
Rot. Bonds5

About N'-[2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]furan-2-carbohydrazide

N'-[2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]furan-2-carbohydrazide (PubChem CID 135452207) has the molecular formula C14H16N4O4S and a molecular weight of 336.37 g/mol. Its IUPAC name is N'-[2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]furan-2-carbohydrazide
PubChem CID135452207
Molecular FormulaC14H16N4O4S
Molecular Weight336.37 g/mol
Exact Mass336.09
IUPAC NameN'-[2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]furan-2-carbohydrazide
SMILESCCc1c(C)nc(SCC(=O)NNC(=O)c2ccco2)[nH]c1=O
InChIInChI=1S/C14H16N4O4S/c1-3-9-8(2)15-14(16-12(9)20)23-7-11(19)17-18-13(21)10-5-4-6-22-10/h4-6H,3,7H2,1-2H3,(H,17,19)(H,18,21)(H,15,16,20)
InChIKeyHEWURWGLWMBDFR-UHFFFAOYSA-N
XLogP0.79
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(7-hydroxy-5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide
CID 17581881
N-(4-amino-2-((2-hydroxyethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)furan-2-carboxamide
CID 135831405
N-[(2E)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]furan-2-carboxamide
CID 135449187
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
N-(2-(allylthio)-4-amino-6-oxo-1,6-dihydropyrimidin-5-yl)furan-2-carboxamide
CID 135427826
N-(4-amino-2-(butylthio)-6-oxo-1,6-dihydropyrimidin-5-yl)furan-2-carboxamide
CID 135449149
N-[4-amino-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide
CID 135705913
2-Furancarboxylic acid, 2-(4,5-dihydro-2-thiazolyl)hydrazide
CID 3060506
N-(4-amino-2-((2-(isopropylamino)-2-oxoethyl)thio)-6-oxo-1,6-dihydropyrimidin-5-yl)furan-2-carboxamide
CID 135541128
N-[4-amino-2-(2-methoxyethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]furan-2-carboxamide
CID 135831406
N'-[2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]furan-2-carbohydrazide
CID 135427760

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]furan-2-carbohydrazide (CID 135452207) is N'-[2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]furan-2-carbohydrazide is CCc1c(C)nc(SCC(=O)NNC(=O)c2ccco2)[nH]c1=O.
What is the InChIKey of N'-[2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]furan-2-carbohydrazide?
The InChIKey is HEWURWGLWMBDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O4S/c1-3-9-8(2)15-14(16-12(9)20)23-7-11(19)17-18-13(21)10-5-4-6-22-10/h4-6H,3,7H2,1-2H3,(H,17,19)(H,18,21)(H,15,16,20).
What are the key properties of N'-[2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]furan-2-carbohydrazide?
N'-[2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]furan-2-carbohydrazide has a molecular weight of 336.37 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]furan-2-carbohydrazide is sourced from PubChem (CID 135452207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).