[4-(hydroxyamino)phenyl] (NZ)-N-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]carbamate

C20H21N3O4S — CID 144727669

IUPAC[4-(hydroxyamino)phenyl] (NZ)-N-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]carbamate
SMILESCc1ccc(C(C)C)c(N2C(=O)CS/C2=N\C(=O)Oc2ccc(NO)cc2)c1
InChIInChI=1S/C20H21N3O4S/c1-12(2)16-9-4-13(3)10-17(16)23-18(24)11-28-19(23)21-20(25)27-15-7-5-14(22-26)6-8-15/h4-10,12,22,26H,11H2,1-3H3/b21-19-
InChIKeyZBDDMDWLKRLPKE-VZCXRCSSSA-N
MW399.47 g/mol
LogP4.55
Rot. Bonds4

About [4-(hydroxyamino)phenyl] (NZ)-N-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]carbamate

[4-(hydroxyamino)phenyl] (NZ)-N-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]carbamate (PubChem CID 144727669) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is [4-(hydroxyamino)phenyl] (NZ)-N-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]carbamate.

Molecular Properties

Compound Name[4-(hydroxyamino)phenyl] (NZ)-N-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]carbamate
PubChem CID144727669
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name[4-(hydroxyamino)phenyl] (NZ)-N-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]carbamate
SMILESCc1ccc(C(C)C)c(N2C(=O)CS/C2=N\C(=O)Oc2ccc(NO)cc2)c1
InChIInChI=1S/C20H21N3O4S/c1-12(2)16-9-4-13(3)10-17(16)23-18(24)11-28-19(23)21-20(25)27-15-7-5-14(22-26)6-8-15/h4-10,12,22,26H,11H2,1-3H3/b21-19-
InChIKeyZBDDMDWLKRLPKE-VZCXRCSSSA-N
XLogP4.55
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_C(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [4-(hydroxyamino)phenyl] (NZ)-N-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]carbamate 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 [4-(hydroxyamino)phenyl] (NZ)-N-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]carbamate?
The IUPAC name of [4-(hydroxyamino)phenyl] (NZ)-N-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]carbamate (CID 144727669) is [4-(hydroxyamino)phenyl] (NZ)-N-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]carbamate.
What is the SMILES notation for [4-(hydroxyamino)phenyl] (NZ)-N-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]carbamate?
The canonical SMILES for [4-(hydroxyamino)phenyl] (NZ)-N-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]carbamate is Cc1ccc(C(C)C)c(N2C(=O)CS/C2=N\C(=O)Oc2ccc(NO)cc2)c1.
What is the InChIKey of [4-(hydroxyamino)phenyl] (NZ)-N-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]carbamate?
The InChIKey is ZBDDMDWLKRLPKE-VZCXRCSSSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-12(2)16-9-4-13(3)10-17(16)23-18(24)11-28-19(23)21-20(25)27-15-7-5-14(22-26)6-8-15/h4-10,12,22,26H,11H2,1-3H3/b21-19-.
What are the key properties of [4-(hydroxyamino)phenyl] (NZ)-N-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]carbamate?
[4-(hydroxyamino)phenyl] (NZ)-N-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]carbamate has a molecular weight of 399.47 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxyamino)phenyl] (NZ)-N-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]carbamate is sourced from PubChem (CID 144727669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).