N-[(Z)-(3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]quinoline-2-carboxamide

C16H16N4O2S — CID 24938682

IUPACN-[(Z)-(3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]quinoline-2-carboxamide
SMILESCCN1C(=O)C(C)S/C1=N\NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C16H16N4O2S/c1-3-20-15(22)10(2)23-16(20)19-18-14(21)13-9-8-11-6-4-5-7-12(11)17-13/h4-10H,3H2,1-2H3,(H,18,21)/b19-16-
InChIKeySBZMOZAHPSUXDO-MNDPQUGUSA-N
MW328.40 g/mol
LogP2.22
Rot. Bonds3

About N-[(Z)-(3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]quinoline-2-carboxamide

N-[(Z)-(3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]quinoline-2-carboxamide (PubChem CID 24938682) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-[(Z)-(3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]quinoline-2-carboxamide
PubChem CID24938682
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-[(Z)-(3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]quinoline-2-carboxamide
SMILESCCN1C(=O)C(C)S/C1=N\NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C16H16N4O2S/c1-3-20-15(22)10(2)23-16(20)19-18-14(21)13-9-8-11-6-4-5-7-12(11)17-13/h4-10H,3H2,1-2H3,(H,18,21)/b19-16-
InChIKeySBZMOZAHPSUXDO-MNDPQUGUSA-N
XLogP2.22
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]quinoline-2-carboxamide?
The IUPAC name of N-[(Z)-(3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]quinoline-2-carboxamide (CID 24938682) is N-[(Z)-(3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]quinoline-2-carboxamide.
What is the SMILES notation for N-[(Z)-(3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]quinoline-2-carboxamide?
The canonical SMILES for N-[(Z)-(3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]quinoline-2-carboxamide is CCN1C(=O)C(C)S/C1=N\NC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-[(Z)-(3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]quinoline-2-carboxamide?
The InChIKey is SBZMOZAHPSUXDO-MNDPQUGUSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-3-20-15(22)10(2)23-16(20)19-18-14(21)13-9-8-11-6-4-5-7-12(11)17-13/h4-10H,3H2,1-2H3,(H,18,21)/b19-16-.
What are the key properties of N-[(Z)-(3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]quinoline-2-carboxamide?
N-[(Z)-(3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]quinoline-2-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]quinoline-2-carboxamide is sourced from PubChem (CID 24938682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).