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

C17H26N2O3S — CID 1280324

IUPAC2-[(5R)-3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
SMILESO=C(O)C[C@H]1S/C(=N\C2CCCCC2)N(C2CCCCC2)C1=O
InChIInChI=1S/C17H26N2O3S/c20-15(21)11-14-16(22)19(13-9-5-2-6-10-13)17(23-14)18-12-7-3-1-4-8-12/h12-14H,1-11H2,(H,20,21)/b18-17-/t14-/m1/s1
InChIKeyWOUSFTXLCCZSQY-MGPWXQLLSA-N
MW338.47 g/mol
LogP3.43
Rot. Bonds4

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

2-[(5R)-3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]acetic acid (PubChem CID 1280324) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 2-[(5R)-3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[(5R)-3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
PubChem CID1280324
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name2-[(5R)-3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]acetic acid
SMILESO=C(O)C[C@H]1S/C(=N\C2CCCCC2)N(C2CCCCC2)C1=O
InChIInChI=1S/C17H26N2O3S/c20-15(21)11-14-16(22)19(13-9-5-2-6-10-13)17(23-14)18-12-7-3-1-4-8-12/h12-14H,1-11H2,(H,20,21)/b18-17-/t14-/m1/s1
InChIKeyWOUSFTXLCCZSQY-MGPWXQLLSA-N
XLogP3.43
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The IUPAC name of 2-[(5R)-3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]acetic acid (CID 1280324) is 2-[(5R)-3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]acetic acid.
What is the SMILES notation for 2-[(5R)-3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The canonical SMILES for 2-[(5R)-3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]acetic acid is O=C(O)C[C@H]1S/C(=N\C2CCCCC2)N(C2CCCCC2)C1=O.
What is the InChIKey of 2-[(5R)-3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
The InChIKey is WOUSFTXLCCZSQY-MGPWXQLLSA-N. The full InChI is InChI=1S/C17H26N2O3S/c20-15(21)11-14-16(22)19(13-9-5-2-6-10-13)17(23-14)18-12-7-3-1-4-8-12/h12-14H,1-11H2,(H,20,21)/b18-17-/t14-/m1/s1.
What are the key properties of 2-[(5R)-3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]acetic acid?
2-[(5R)-3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]acetic acid has a molecular weight of 338.47 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-3-cyclohexyl-2-cyclohexylimino-4-oxo-1,3-thiazolidin-5-yl]acetic acid is sourced from PubChem (CID 1280324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).