(4S)-4-benzhydryl-1,3-thiazolidine

C16H17NS — CID 59628705

IUPAC(4S)-4-benzhydryl-1,3-thiazolidine
SMILESc1ccc(C(c2ccccc2)[C@H]2CSCN2)cc1
InChIInChI=1S/C16H17NS/c1-3-7-13(8-4-1)16(15-11-18-12-17-15)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2/t15-/m1/s1
InChIKeyJRVHUOCQDMVJKC-OAHLLOKOSA-N
MW255.39 g/mol
LogP3.48
Rot. Bonds3

About (4S)-4-benzhydryl-1,3-thiazolidine

(4S)-4-benzhydryl-1,3-thiazolidine (PubChem CID 59628705) has the molecular formula C16H17NS and a molecular weight of 255.39 g/mol. Its IUPAC name is (4S)-4-benzhydryl-1,3-thiazolidine.

Molecular Properties

Compound Name(4S)-4-benzhydryl-1,3-thiazolidine
PubChem CID59628705
Molecular FormulaC16H17NS
Molecular Weight255.39 g/mol
Exact Mass255.11
IUPAC Name(4S)-4-benzhydryl-1,3-thiazolidine
SMILESc1ccc(C(c2ccccc2)[C@H]2CSCN2)cc1
InChIInChI=1S/C16H17NS/c1-3-7-13(8-4-1)16(15-11-18-12-17-15)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2/t15-/m1/s1
InChIKeyJRVHUOCQDMVJKC-OAHLLOKOSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-[bis[4-(2,3-dimethylbutan-2-yl)phenyl]methyl]-1,3-thiazolidine
CID 59628826
N-[(1R)-1-phenylethyl]-2-[(4S)-1,3-thiazolidin-4-yl]acetamide
CID 139762199
N-(3-methyl-1-phenylbutyl)-1,3-thiazolidine-4-carboxamide
CID 43707143
N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-thiazolidine-4-carboxamide
CID 107863284
2-phenyl-3-(1,3-thiazolidine-4-carbonylamino)propanoic acid
CID 55128819
N-[2-(dimethylamino)-2-phenylethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119828799
N-(3-cyclopropyl-3-phenylpropyl)-1,3-thiazolidine-4-carboxamide
CID 110661652
(2R)-2-[(1R)-1-phenylethyl]pyrrolidine
CID 95732426
2-[bis(4-phenylphenyl)methyl]-4-methylidenepyrrolidine
CID 88997760
(4R)-2-benzhydryl-1,3-thiazolidine-4-carboxylic acid
CID 107292848
2-benzhydryl-1,3-thiazolidine-4-carboxylic acid
CID 107292847
(2R)-2-[bis(3-phenylphenyl)methyl]pyrrolidine
CID 59628779

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzhydryl-1,3-thiazolidine?
The IUPAC name of (4S)-4-benzhydryl-1,3-thiazolidine (CID 59628705) is (4S)-4-benzhydryl-1,3-thiazolidine.
What is the SMILES notation for (4S)-4-benzhydryl-1,3-thiazolidine?
The canonical SMILES for (4S)-4-benzhydryl-1,3-thiazolidine is c1ccc(C(c2ccccc2)[C@H]2CSCN2)cc1.
What is the InChIKey of (4S)-4-benzhydryl-1,3-thiazolidine?
The InChIKey is JRVHUOCQDMVJKC-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17NS/c1-3-7-13(8-4-1)16(15-11-18-12-17-15)14-9-5-2-6-10-14/h1-10,15-17H,11-12H2/t15-/m1/s1.
What are the key properties of (4S)-4-benzhydryl-1,3-thiazolidine?
(4S)-4-benzhydryl-1,3-thiazolidine has a molecular weight of 255.39 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzhydryl-1,3-thiazolidine is sourced from PubChem (CID 59628705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).