(4R)-N-[(R)-[(1S,2R)-2-methylcyclopropyl]-phenylmethyl]-2-oxo-1,3-thiazolidine-4-carboxamide

C15H18N2O2S — CID 99847856

IUPAC(4R)-N-[(R)-[(1S,2R)-2-methylcyclopropyl]-phenylmethyl]-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESC[C@@H]1C[C@@H]1[C@@H](NC(=O)[C@@H]1CSC(=O)N1)c1ccccc1
InChIInChI=1S/C15H18N2O2S/c1-9-7-11(9)13(10-5-3-2-4-6-10)17-14(18)12-8-20-15(19)16-12/h2-6,9,11-13H,7-8H2,1H3,(H,16,19)(H,17,18)/t9-,11+,12+,13+/m1/s1
InChIKeyPWOACXUBRBGNCR-IXOXFDKPSA-N
MW290.39 g/mol
LogP2.32
Rot. Bonds4

About (4R)-N-[(R)-[(1S,2R)-2-methylcyclopropyl]-phenylmethyl]-2-oxo-1,3-thiazolidine-4-carboxamide

(4R)-N-[(R)-[(1S,2R)-2-methylcyclopropyl]-phenylmethyl]-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 99847856) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is (4R)-N-[(R)-[(1S,2R)-2-methylcyclopropyl]-phenylmethyl]-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(R)-[(1S,2R)-2-methylcyclopropyl]-phenylmethyl]-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID99847856
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name(4R)-N-[(R)-[(1S,2R)-2-methylcyclopropyl]-phenylmethyl]-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESC[C@@H]1C[C@@H]1[C@@H](NC(=O)[C@@H]1CSC(=O)N1)c1ccccc1
InChIInChI=1S/C15H18N2O2S/c1-9-7-11(9)13(10-5-3-2-4-6-10)17-14(18)12-8-20-15(19)16-12/h2-6,9,11-13H,7-8H2,1H3,(H,16,19)(H,17,18)/t9-,11+,12+,13+/m1/s1
InChIKeyPWOACXUBRBGNCR-IXOXFDKPSA-N
XLogP2.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(R)-[(1S,2R)-2-methylcyclopropyl]-phenylmethyl]-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-[(R)-[(1S,2R)-2-methylcyclopropyl]-phenylmethyl]-2-oxo-1,3-thiazolidine-4-carboxamide (CID 99847856) is (4R)-N-[(R)-[(1S,2R)-2-methylcyclopropyl]-phenylmethyl]-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-[(R)-[(1S,2R)-2-methylcyclopropyl]-phenylmethyl]-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-[(R)-[(1S,2R)-2-methylcyclopropyl]-phenylmethyl]-2-oxo-1,3-thiazolidine-4-carboxamide is C[C@@H]1C[C@@H]1[C@@H](NC(=O)[C@@H]1CSC(=O)N1)c1ccccc1.
What is the InChIKey of (4R)-N-[(R)-[(1S,2R)-2-methylcyclopropyl]-phenylmethyl]-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is PWOACXUBRBGNCR-IXOXFDKPSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-9-7-11(9)13(10-5-3-2-4-6-10)17-14(18)12-8-20-15(19)16-12/h2-6,9,11-13H,7-8H2,1H3,(H,16,19)(H,17,18)/t9-,11+,12+,13+/m1/s1.
What are the key properties of (4R)-N-[(R)-[(1S,2R)-2-methylcyclopropyl]-phenylmethyl]-2-oxo-1,3-thiazolidine-4-carboxamide?
(4R)-N-[(R)-[(1S,2R)-2-methylcyclopropyl]-phenylmethyl]-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(R)-[(1S,2R)-2-methylcyclopropyl]-phenylmethyl]-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 99847856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).