(2S)-2-(4-aminophenyl)-3-propan-2-yl-1,3-thiazolidin-4-one

C12H16N2OS — CID 129387522

IUPAC(2S)-2-(4-aminophenyl)-3-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)N1C(=O)CS[C@H]1c1ccc(N)cc1
InChIInChI=1S/C12H16N2OS/c1-8(2)14-11(15)7-16-12(14)9-3-5-10(13)6-4-9/h3-6,8,12H,7,13H2,1-2H3/t12-/m0/s1
InChIKeyYQHGWVGSBNPWKL-LBPRGKRZSA-N
MW236.34 g/mol
LogP2.25
Rot. Bonds2

About (2S)-2-(4-aminophenyl)-3-propan-2-yl-1,3-thiazolidin-4-one

(2S)-2-(4-aminophenyl)-3-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 129387522) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is (2S)-2-(4-aminophenyl)-3-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2S)-2-(4-aminophenyl)-3-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID129387522
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name(2S)-2-(4-aminophenyl)-3-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)N1C(=O)CS[C@H]1c1ccc(N)cc1
InChIInChI=1S/C12H16N2OS/c1-8(2)14-11(15)7-16-12(14)9-3-5-10(13)6-4-9/h3-6,8,12H,7,13H2,1-2H3/t12-/m0/s1
InChIKeyYQHGWVGSBNPWKL-LBPRGKRZSA-N
XLogP2.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-3-(2,3-dimethylphenyl)-1,3-thiazolidin-4-one
CID 24716509
2-naphthalen-1-yl-3-propan-2-yl-1,3-thiazolidin-4-one
CID 101199621
2-(4-aminophenyl)-3-[3-(butylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride
CID 3031975
2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanoic acid
CID 42795735
N-cyclopropyl-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide
CID 42814955
2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-propan-2-yl-1,3-thiazolidin-4-one
CID 44612794
2-(4-aminophenyl)-3-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one
CID 42803990
2-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-4-one
CID 11842587
3-(3,5-dimethylphenyl)-2-[4-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-1,3-thiazolidin-4-one
CID 4596326
2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-4-methyl-N-(2-methylpropyl)pentanamide
CID 42816311
N-(2-methoxyethyl)-2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanamide
CID 42814953
N-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide
CID 42816187

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-aminophenyl)-3-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of (2S)-2-(4-aminophenyl)-3-propan-2-yl-1,3-thiazolidin-4-one (CID 129387522) is (2S)-2-(4-aminophenyl)-3-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2S)-2-(4-aminophenyl)-3-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for (2S)-2-(4-aminophenyl)-3-propan-2-yl-1,3-thiazolidin-4-one is CC(C)N1C(=O)CS[C@H]1c1ccc(N)cc1.
What is the InChIKey of (2S)-2-(4-aminophenyl)-3-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is YQHGWVGSBNPWKL-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-8(2)14-11(15)7-16-12(14)9-3-5-10(13)6-4-9/h3-6,8,12H,7,13H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-2-(4-aminophenyl)-3-propan-2-yl-1,3-thiazolidin-4-one?
(2S)-2-(4-aminophenyl)-3-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 236.34 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-aminophenyl)-3-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 129387522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).