(4S)-N-(2-methyl-1,3-dihydroinden-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide

C14H16N2O2S — CID 124516286

IUPAC(4S)-N-(2-methyl-1,3-dihydroinden-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESCC1(NC(=O)[C@H]2CSC(=O)N2)Cc2ccccc2C1
InChIInChI=1S/C14H16N2O2S/c1-14(6-9-4-2-3-5-10(9)7-14)16-12(17)11-8-19-13(18)15-11/h2-5,11H,6-8H2,1H3,(H,15,18)(H,16,17)/t11-/m1/s1
InChIKeyUFFOISLJKOGCGR-LLVKDONJSA-N
MW276.36 g/mol
LogP1.49
Rot. Bonds2

About (4S)-N-(2-methyl-1,3-dihydroinden-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide

(4S)-N-(2-methyl-1,3-dihydroinden-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 124516286) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is (4S)-N-(2-methyl-1,3-dihydroinden-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(2-methyl-1,3-dihydroinden-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID124516286
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name(4S)-N-(2-methyl-1,3-dihydroinden-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESCC1(NC(=O)[C@H]2CSC(=O)N2)Cc2ccccc2C1
InChIInChI=1S/C14H16N2O2S/c1-14(6-9-4-2-3-5-10(9)7-14)16-12(17)11-8-19-13(18)15-11/h2-5,11H,6-8H2,1H3,(H,15,18)(H,16,17)/t11-/m1/s1
InChIKeyUFFOISLJKOGCGR-LLVKDONJSA-N
XLogP1.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-(2-methyl-1,3-dihydroinden-2-yl)cyclopentane-1-carboxamide
CID 110016726
N-[2-(1-hydroxyethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 54963556
(2R)-2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]-2-phenylacetic acid
CID 61143353
(4S)-N-[(R)-[(1S,2R)-2-methylcyclopropyl]-phenylmethyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 129423802
(4R)-N-[(R)-[(1S,2R)-2-methylcyclopropyl]-phenylmethyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 99847856
N-(2-hydroxy-2-methylpropyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 65109815
N-[2-(aminomethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 64896228
(4R)-N-[(2S)-1-[benzyl(methyl)amino]propan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 124614611
4-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene-11-carbonyl)-1,3-thiazolidin-2-one
CID 71866701
(4S)-N-[(2S)-1-(2-bromophenyl)propan-2-yl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 97087809
2,2,2-trifluoro-N-(2-methyl-1,3-dihydroinden-2-yl)acetamide
CID 22499214
N-[1-benzofuran-2-yl(cyclopropyl)methyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 75375667

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(2-methyl-1,3-dihydroinden-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-(2-methyl-1,3-dihydroinden-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide (CID 124516286) is (4S)-N-(2-methyl-1,3-dihydroinden-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-(2-methyl-1,3-dihydroinden-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-(2-methyl-1,3-dihydroinden-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide is CC1(NC(=O)[C@H]2CSC(=O)N2)Cc2ccccc2C1.
What is the InChIKey of (4S)-N-(2-methyl-1,3-dihydroinden-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is UFFOISLJKOGCGR-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-14(6-9-4-2-3-5-10(9)7-14)16-12(17)11-8-19-13(18)15-11/h2-5,11H,6-8H2,1H3,(H,15,18)(H,16,17)/t11-/m1/s1.
What are the key properties of (4S)-N-(2-methyl-1,3-dihydroinden-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide?
(4S)-N-(2-methyl-1,3-dihydroinden-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(2-methyl-1,3-dihydroinden-2-yl)-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 124516286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).