(4S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-2-oxo-1,3-thiazolidine-4-carboxamide

C15H22N2O3S — CID 96568903

IUPAC(4S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESCCc1ccc([C@H](NC(=O)[C@H]2CSC(=O)N2)C(C)(C)C)o1
InChIInChI=1S/C15H22N2O3S/c1-5-9-6-7-11(20-9)12(15(2,3)4)17-13(18)10-8-21-14(19)16-10/h6-7,10,12H,5,8H2,1-4H3,(H,16,19)(H,17,18)/t10-,12+/m1/s1
InChIKeySBVPPHYXRHBGRB-PWSUYJOCSA-N
MW310.42 g/mol
LogP2.87
Rot. Bonds4

About (4S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-2-oxo-1,3-thiazolidine-4-carboxamide

(4S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 96568903) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is (4S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID96568903
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name(4S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESCCc1ccc([C@H](NC(=O)[C@H]2CSC(=O)N2)C(C)(C)C)o1
InChIInChI=1S/C15H22N2O3S/c1-5-9-6-7-11(20-9)12(15(2,3)4)17-13(18)10-8-21-14(19)16-10/h6-7,10,12H,5,8H2,1-4H3,(H,16,19)(H,17,18)/t10-,12+/m1/s1
InChIKeySBVPPHYXRHBGRB-PWSUYJOCSA-N
XLogP2.87
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-2-oxo-1,3-thiazolidine-4-carboxamide (CID 96568903) is (4S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-2-oxo-1,3-thiazolidine-4-carboxamide is CCc1ccc([C@H](NC(=O)[C@H]2CSC(=O)N2)C(C)(C)C)o1.
What is the InChIKey of (4S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is SBVPPHYXRHBGRB-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-5-9-6-7-11(20-9)12(15(2,3)4)17-13(18)10-8-21-14(19)16-10/h6-7,10,12H,5,8H2,1-4H3,(H,16,19)(H,17,18)/t10-,12+/m1/s1.
What are the key properties of (4S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-2-oxo-1,3-thiazolidine-4-carboxamide?
(4S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 96568903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).