(2S,4S)-3-[2-(4-chlorophenyl)acetyl]-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate

C18H14ClFNO3S- — CID 6961690

IUPAC(2S,4S)-3-[2-(4-chlorophenyl)acetyl]-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate
SMILESO=C([O-])[C@H]1CS[C@@H](c2ccc(F)cc2)N1C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H15ClFNO3S/c19-13-5-1-11(2-6-13)9-16(22)21-15(18(23)24)10-25-17(21)12-3-7-14(20)8-4-12/h1-8,15,17H,9-10H2,(H,23,24)/p-1/t15-,17+/m1/s1
InChIKeyPZWGTZHCYVYLRW-WBVHZDCISA-M
MW378.83 g/mol
LogP2.41
Rot. Bonds4

About (2S,4S)-3-[2-(4-chlorophenyl)acetyl]-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate

(2S,4S)-3-[2-(4-chlorophenyl)acetyl]-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate (PubChem CID 6961690) has the molecular formula C18H14ClFNO3S- and a molecular weight of 378.83 g/mol. Its IUPAC name is (2S,4S)-3-[2-(4-chlorophenyl)acetyl]-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Name(2S,4S)-3-[2-(4-chlorophenyl)acetyl]-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate
PubChem CID6961690
Molecular FormulaC18H14ClFNO3S-
Molecular Weight378.83 g/mol
Exact Mass378.04
IUPAC Name(2S,4S)-3-[2-(4-chlorophenyl)acetyl]-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate
SMILESO=C([O-])[C@H]1CS[C@@H](c2ccc(F)cc2)N1C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C18H15ClFNO3S/c19-13-5-1-11(2-6-13)9-16(22)21-15(18(23)24)10-25-17(21)12-3-7-14(20)8-4-12/h1-8,15,17H,9-10H2,(H,23,24)/p-1/t15-,17+/m1/s1
InChIKeyPZWGTZHCYVYLRW-WBVHZDCISA-M
XLogP2.41
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.83
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-3-[2-(4-chlorophenyl)acetyl]-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 1051065
3-(3-chloropropanoyl)-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 42727794
ethyl 2-(4-chlorophenyl)-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxylate
CID 42727802
(2S,4S)-3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 1195491
(2R,4R)-3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 1195498
3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 3939901
3-[2-(4-fluorophenyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780328
1-[4-[2-(4-chlorophenyl)acetyl]-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone
CID 110359111
(2S,4R)-3-acetyl-2-(4-bromophenyl)-1,3-thiazolidine-4-carboxylate
CID 6938818
2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90592926
3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 5164610
(2S,4S)-3-(3-chlorobenzoyl)-2-(4-methylphenyl)-1,3-thiazolidine-4-carboxylate
CID 6974036

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-3-[2-(4-chlorophenyl)acetyl]-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate?
The IUPAC name of (2S,4S)-3-[2-(4-chlorophenyl)acetyl]-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate (CID 6961690) is (2S,4S)-3-[2-(4-chlorophenyl)acetyl]-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for (2S,4S)-3-[2-(4-chlorophenyl)acetyl]-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for (2S,4S)-3-[2-(4-chlorophenyl)acetyl]-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate is O=C([O-])[C@H]1CS[C@@H](c2ccc(F)cc2)N1C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of (2S,4S)-3-[2-(4-chlorophenyl)acetyl]-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate?
The InChIKey is PZWGTZHCYVYLRW-WBVHZDCISA-M. The full InChI is InChI=1S/C18H15ClFNO3S/c19-13-5-1-11(2-6-13)9-16(22)21-15(18(23)24)10-25-17(21)12-3-7-14(20)8-4-12/h1-8,15,17H,9-10H2,(H,23,24)/p-1/t15-,17+/m1/s1.
What are the key properties of (2S,4S)-3-[2-(4-chlorophenyl)acetyl]-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate?
(2S,4S)-3-[2-(4-chlorophenyl)acetyl]-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate has a molecular weight of 378.83 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-3-[2-(4-chlorophenyl)acetyl]-2-(4-fluorophenyl)-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 6961690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).