N-[4-(5-methylfuran-2-yl)phenyl]hydroxylamine;5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

C15H16N2O3S2 — CID 142878486

IUPACN-[4-(5-methylfuran-2-yl)phenyl]hydroxylamine;5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCC1SC(=S)NC1=O.Cc1ccc(-c2ccc(NO)cc2)o1
InChIInChI=1S/C11H11NO2.C4H5NOS2/c1-8-2-7-11(14-8)9-3-5-10(12-13)6-4-9;1-2-3(6)5-4(7)8-2/h2-7,12-13H,1H3;2H,1H3,(H,5,6,7)
InChIKeyBURUCAZNAUTIMU-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.58
Rot. Bonds2

About N-[4-(5-methylfuran-2-yl)phenyl]hydroxylamine;5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

N-[4-(5-methylfuran-2-yl)phenyl]hydroxylamine;5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 142878486) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[4-(5-methylfuran-2-yl)phenyl]hydroxylamine;5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound NameN-[4-(5-methylfuran-2-yl)phenyl]hydroxylamine;5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID142878486
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC NameN-[4-(5-methylfuran-2-yl)phenyl]hydroxylamine;5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCC1SC(=S)NC1=O.Cc1ccc(-c2ccc(NO)cc2)o1
InChIInChI=1S/C11H11NO2.C4H5NOS2/c1-8-2-7-11(14-8)9-3-5-10(12-13)6-4-9;1-2-3(6)5-4(7)8-2/h2-7,12-13H,1H3;2H,1H3,(H,5,6,7)
InChIKeyBURUCAZNAUTIMU-UHFFFAOYSA-N
XLogP3.58
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[4-(5-methylfuran-2-yl)phenyl]hydroxylamine;5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methylfuran-2-yl)phenyl]hydroxylamine;5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of N-[4-(5-methylfuran-2-yl)phenyl]hydroxylamine;5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 142878486) is N-[4-(5-methylfuran-2-yl)phenyl]hydroxylamine;5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for N-[4-(5-methylfuran-2-yl)phenyl]hydroxylamine;5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for N-[4-(5-methylfuran-2-yl)phenyl]hydroxylamine;5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one is CC1SC(=S)NC1=O.Cc1ccc(-c2ccc(NO)cc2)o1.
What is the InChIKey of N-[4-(5-methylfuran-2-yl)phenyl]hydroxylamine;5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is BURUCAZNAUTIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2.C4H5NOS2/c1-8-2-7-11(14-8)9-3-5-10(12-13)6-4-9;1-2-3(6)5-4(7)8-2/h2-7,12-13H,1H3;2H,1H3,(H,5,6,7).
What are the key properties of N-[4-(5-methylfuran-2-yl)phenyl]hydroxylamine;5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one?
N-[4-(5-methylfuran-2-yl)phenyl]hydroxylamine;5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 336.44 g/mol, XLogP of 3.58, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methylfuran-2-yl)phenyl]hydroxylamine;5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 142878486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).