[(4S,5R)-2-amino-4-(4-chlorophenyl)-3-phenyl-1,3-thiazolidin-5-yl]-phenylmethanone

C22H19ClN2OS — CID 100992560

IUPAC[(4S,5R)-2-amino-4-(4-chlorophenyl)-3-phenyl-1,3-thiazolidin-5-yl]-phenylmethanone
SMILESNC1S[C@@H](C(=O)c2ccccc2)[C@H](c2ccc(Cl)cc2)N1c1ccccc1
InChIInChI=1S/C22H19ClN2OS/c23-17-13-11-15(12-14-17)19-21(20(26)16-7-3-1-4-8-16)27-22(24)25(19)18-9-5-2-6-10-18/h1-14,19,21-22H,24H2/t19-,21+,22?/m0/s1
InChIKeyVOKGJYCCFOVLBU-BMHUVXDISA-N
MW394.93 g/mol
LogP5.13
Rot. Bonds4

About [(4S,5R)-2-amino-4-(4-chlorophenyl)-3-phenyl-1,3-thiazolidin-5-yl]-phenylmethanone

[(4S,5R)-2-amino-4-(4-chlorophenyl)-3-phenyl-1,3-thiazolidin-5-yl]-phenylmethanone (PubChem CID 100992560) has the molecular formula C22H19ClN2OS and a molecular weight of 394.93 g/mol. Its IUPAC name is [(4S,5R)-2-amino-4-(4-chlorophenyl)-3-phenyl-1,3-thiazolidin-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[(4S,5R)-2-amino-4-(4-chlorophenyl)-3-phenyl-1,3-thiazolidin-5-yl]-phenylmethanone
PubChem CID100992560
Molecular FormulaC22H19ClN2OS
Molecular Weight394.93 g/mol
Exact Mass394.09
IUPAC Name[(4S,5R)-2-amino-4-(4-chlorophenyl)-3-phenyl-1,3-thiazolidin-5-yl]-phenylmethanone
SMILESNC1S[C@@H](C(=O)c2ccccc2)[C@H](c2ccc(Cl)cc2)N1c1ccccc1
InChIInChI=1S/C22H19ClN2OS/c23-17-13-11-15(12-14-17)19-21(20(26)16-7-3-1-4-8-16)27-22(24)25(19)18-9-5-2-6-10-18/h1-14,19,21-22H,24H2/t19-,21+,22?/m0/s1
InChIKeyVOKGJYCCFOVLBU-BMHUVXDISA-N
XLogP5.13
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.93
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4S,5R)-2-amino-5-benzoyl-4-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]benzoic acid
CID 100992568
2-(benzenesulfonyl)-3-(4-chlorophenyl)-1-phenylaziridine
CID 13257412
[4-benzoyl-5-(4-chlorophenyl)-1-methylpyrrolidin-3-yl]-phenylmethanone
CID 3535886
4-(3-aminobenzoyl)-5-(4-chlorophenyl)-1-phenylpyrrolidine-2,3-dione
CID 123294023
1,3-bis(4-chlorophenyl)-2-(4-hydroxy-3,5-diphenyl-1,3-thiazolidin-2-yl)propane-1,3-dione
CID 101247101
[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-phenylmethanone
CID 27327097
ethyl (2R,3R)-1-(4-chlorophenyl)-3-phenylaziridine-2-carboxylate
CID 11808800
2-[(2R,3S)-2-(4-chlorophenyl)-4,5-dioxo-1-phenylpyrrolidin-3-yl]acetic acid
CID 7408960
(2R,3R)-2-(4-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
CID 16731773
[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-phenylmethanone
CID 10266040
(1R,3R,4R)-3-(4-chlorophenyl)-2-phenyl-2-azabicyclo[2.2.2]octan-5-one
CID 11404162
1-(1,3-benzothiazol-2-yl)-4-benzoyl-5-(4-chlorophenyl)pyrrolidine-2,3-dione
CID 123918730

Frequently Asked Questions

What is the IUPAC name of [(4S,5R)-2-amino-4-(4-chlorophenyl)-3-phenyl-1,3-thiazolidin-5-yl]-phenylmethanone?
The IUPAC name of [(4S,5R)-2-amino-4-(4-chlorophenyl)-3-phenyl-1,3-thiazolidin-5-yl]-phenylmethanone (CID 100992560) is [(4S,5R)-2-amino-4-(4-chlorophenyl)-3-phenyl-1,3-thiazolidin-5-yl]-phenylmethanone.
What is the SMILES notation for [(4S,5R)-2-amino-4-(4-chlorophenyl)-3-phenyl-1,3-thiazolidin-5-yl]-phenylmethanone?
The canonical SMILES for [(4S,5R)-2-amino-4-(4-chlorophenyl)-3-phenyl-1,3-thiazolidin-5-yl]-phenylmethanone is NC1S[C@@H](C(=O)c2ccccc2)[C@H](c2ccc(Cl)cc2)N1c1ccccc1.
What is the InChIKey of [(4S,5R)-2-amino-4-(4-chlorophenyl)-3-phenyl-1,3-thiazolidin-5-yl]-phenylmethanone?
The InChIKey is VOKGJYCCFOVLBU-BMHUVXDISA-N. The full InChI is InChI=1S/C22H19ClN2OS/c23-17-13-11-15(12-14-17)19-21(20(26)16-7-3-1-4-8-16)27-22(24)25(19)18-9-5-2-6-10-18/h1-14,19,21-22H,24H2/t19-,21+,22?/m0/s1.
What are the key properties of [(4S,5R)-2-amino-4-(4-chlorophenyl)-3-phenyl-1,3-thiazolidin-5-yl]-phenylmethanone?
[(4S,5R)-2-amino-4-(4-chlorophenyl)-3-phenyl-1,3-thiazolidin-5-yl]-phenylmethanone has a molecular weight of 394.93 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5R)-2-amino-4-(4-chlorophenyl)-3-phenyl-1,3-thiazolidin-5-yl]-phenylmethanone is sourced from PubChem (CID 100992560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).