(4R)-2-[1-(3-benzoylphenyl)ethyl]-1,3-thiazolidine-4-carboxylic acid;hydrochloride

C19H20ClNO3S — CID 67866973

IUPAC(4R)-2-[1-(3-benzoylphenyl)ethyl]-1,3-thiazolidine-4-carboxylic acid;hydrochloride
SMILESCC(c1cccc(C(=O)c2ccccc2)c1)C1N[C@H](C(=O)O)CS1.Cl
InChIInChI=1S/C19H19NO3S.ClH/c1-12(18-20-16(11-24-18)19(22)23)14-8-5-9-15(10-14)17(21)13-6-3-2-4-7-13;/h2-10,12,16,18,20H,11H2,1H3,(H,22,23);1H/t12?,16-,18?;/m0./s1
InChIKeyBHYWHPYDPRGFGC-ANLVPXKHSA-N
MW377.89 g/mol
LogP3.56
Rot. Bonds5

About (4R)-2-[1-(3-benzoylphenyl)ethyl]-1,3-thiazolidine-4-carboxylic acid;hydrochloride

(4R)-2-[1-(3-benzoylphenyl)ethyl]-1,3-thiazolidine-4-carboxylic acid;hydrochloride (PubChem CID 67866973) has the molecular formula C19H20ClNO3S and a molecular weight of 377.89 g/mol. Its IUPAC name is (4R)-2-[1-(3-benzoylphenyl)ethyl]-1,3-thiazolidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(4R)-2-[1-(3-benzoylphenyl)ethyl]-1,3-thiazolidine-4-carboxylic acid;hydrochloride
PubChem CID67866973
Molecular FormulaC19H20ClNO3S
Molecular Weight377.89 g/mol
Exact Mass377.09
IUPAC Name(4R)-2-[1-(3-benzoylphenyl)ethyl]-1,3-thiazolidine-4-carboxylic acid;hydrochloride
SMILESCC(c1cccc(C(=O)c2ccccc2)c1)C1N[C@H](C(=O)O)CS1.Cl
InChIInChI=1S/C19H19NO3S.ClH/c1-12(18-20-16(11-24-18)19(22)23)14-8-5-9-15(10-14)17(21)13-6-3-2-4-7-13;/h2-10,12,16,18,20H,11H2,1H3,(H,22,23);1H/t12?,16-,18?;/m0./s1
InChIKeyBHYWHPYDPRGFGC-ANLVPXKHSA-N
XLogP3.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-2-benzhydryl-1,3-thiazolidine-4-carboxylic acid
CID 107292848
(2S)-2-(3-benzoylphenyl)(113C)propanoic acid
CID 10706176
(2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid
CID 159553712
CID 66964934
CID 66964934
2-(3-benzoylphenyl)-3-methylbutanoic acid
CID 134119890
CID 157056025
CID 157056025
sodium (2S)-2-(3-benzoylphenyl)propanoate
CID 67762789
(4R)-2-butan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 57064523
2-(3-benzoylphenyl)propanoic acid;phenol
CID 161129325
2-(3-benzoylphenyl)-N,N-dimethylpropanamide
CID 3042316
(3-propan-2-ylphenyl)-(4-propan-2-ylphenyl)methanone
CID 170780602
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[1-(3-benzoylphenyl)ethyl]-1,3-thiazolidine-4-carboxylic acid;hydrochloride?
The IUPAC name of (4R)-2-[1-(3-benzoylphenyl)ethyl]-1,3-thiazolidine-4-carboxylic acid;hydrochloride (CID 67866973) is (4R)-2-[1-(3-benzoylphenyl)ethyl]-1,3-thiazolidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for (4R)-2-[1-(3-benzoylphenyl)ethyl]-1,3-thiazolidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for (4R)-2-[1-(3-benzoylphenyl)ethyl]-1,3-thiazolidine-4-carboxylic acid;hydrochloride is CC(c1cccc(C(=O)c2ccccc2)c1)C1N[C@H](C(=O)O)CS1.Cl.
What is the InChIKey of (4R)-2-[1-(3-benzoylphenyl)ethyl]-1,3-thiazolidine-4-carboxylic acid;hydrochloride?
The InChIKey is BHYWHPYDPRGFGC-ANLVPXKHSA-N. The full InChI is InChI=1S/C19H19NO3S.ClH/c1-12(18-20-16(11-24-18)19(22)23)14-8-5-9-15(10-14)17(21)13-6-3-2-4-7-13;/h2-10,12,16,18,20H,11H2,1H3,(H,22,23);1H/t12?,16-,18?;/m0./s1.
What are the key properties of (4R)-2-[1-(3-benzoylphenyl)ethyl]-1,3-thiazolidine-4-carboxylic acid;hydrochloride?
(4R)-2-[1-(3-benzoylphenyl)ethyl]-1,3-thiazolidine-4-carboxylic acid;hydrochloride has a molecular weight of 377.89 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-[1-(3-benzoylphenyl)ethyl]-1,3-thiazolidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 67866973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).