2-[(5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid

C19H23N3O3S — CID 1202014

IUPAC2-[(5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid
SMILESO=C(O)C[C@H]1SC(=NN=C2CCCCCCC2)N(c2ccccc2)C1=O
InChIInChI=1S/C19H23N3O3S/c23-17(24)13-16-18(25)22(15-11-7-4-8-12-15)19(26-16)21-20-14-9-5-2-1-3-6-10-14/h4,7-8,11-12,16H,1-3,5-6,9-10,13H2,(H,23,24)/t16-/m1/s1
InChIKeySUNHNCOUVBVRPZ-MRXNPFEDSA-N
MW373.48 g/mol
LogP4.07
Rot. Bonds4

About 2-[(5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid

2-[(5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid (PubChem CID 1202014) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 2-[(5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[(5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid
PubChem CID1202014
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name2-[(5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid
SMILESO=C(O)C[C@H]1SC(=NN=C2CCCCCCC2)N(c2ccccc2)C1=O
InChIInChI=1S/C19H23N3O3S/c23-17(24)13-16-18(25)22(15-11-7-4-8-12-15)19(26-16)21-20-14-9-5-2-1-3-6-10-14/h4,7-8,11-12,16H,1-3,5-6,9-10,13H2,(H,23,24)/t16-/m1/s1
InChIKeySUNHNCOUVBVRPZ-MRXNPFEDSA-N
XLogP4.07
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.07
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 2-[(5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid?
The IUPAC name of 2-[(5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid (CID 1202014) is 2-[(5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid.
What is the SMILES notation for 2-[(5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid?
The canonical SMILES for 2-[(5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid is O=C(O)C[C@H]1SC(=NN=C2CCCCCCC2)N(c2ccccc2)C1=O.
What is the InChIKey of 2-[(5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid?
The InChIKey is SUNHNCOUVBVRPZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N3O3S/c23-17(24)13-16-18(25)22(15-11-7-4-8-12-15)19(26-16)21-20-14-9-5-2-1-3-6-10-14/h4,7-8,11-12,16H,1-3,5-6,9-10,13H2,(H,23,24)/t16-/m1/s1.
What are the key properties of 2-[(5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid?
2-[(5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid has a molecular weight of 373.48 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-2-(cyclooctylidenehydrazinylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]acetic acid is sourced from PubChem (CID 1202014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).