(2R)-N-(2-bromophenyl)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carboxamide

C16H14BrClN2OS — CID 7418004

IUPAC(2R)-N-(2-bromophenyl)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1ccccc1Br)N1CCS[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C16H14BrClN2OS/c17-13-6-1-2-7-14(13)19-16(21)20-8-9-22-15(20)11-4-3-5-12(18)10-11/h1-7,10,15H,8-9H2,(H,19,21)/t15-/m1/s1
InChIKeyVAFUYNGWRVLJEX-OAHLLOKOSA-N
MW397.73 g/mol
LogP5.38
Rot. Bonds2

About (2R)-N-(2-bromophenyl)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carboxamide

(2R)-N-(2-bromophenyl)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carboxamide (PubChem CID 7418004) has the molecular formula C16H14BrClN2OS and a molecular weight of 397.73 g/mol. Its IUPAC name is (2R)-N-(2-bromophenyl)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-bromophenyl)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carboxamide
PubChem CID7418004
Molecular FormulaC16H14BrClN2OS
Molecular Weight397.73 g/mol
Exact Mass395.97
IUPAC Name(2R)-N-(2-bromophenyl)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carboxamide
SMILESO=C(Nc1ccccc1Br)N1CCS[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C16H14BrClN2OS/c17-13-6-1-2-7-14(13)19-16(21)20-8-9-22-15(20)11-4-3-5-12(18)10-11/h1-7,10,15H,8-9H2,(H,19,21)/t15-/m1/s1
InChIKeyVAFUYNGWRVLJEX-OAHLLOKOSA-N
XLogP5.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.73
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-chlorophenyl)-N-phenyl-1,3-thiazolidine-3-carboxamide
CID 7409403
2-(3-chlorophenyl)-N-(2-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 5168614
(2R)-2-(3-chlorophenyl)-N-(2,6-dichlorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7226698
2-(3-chlorophenyl)-N-(2,4-difluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 3328516
(2R)-N-(2-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025816
(2R)-N-(2,4-dichlorophenyl)-2-(3-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7414393
(2R)-N-(2-bromophenyl)-2-(2-fluorophenyl)-1,3-thiazolidine-3-carboxamide
CID 7297065
1-[(2R)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7289124
2-(3-chlorophenyl)-N-cyclohexyl-1,3-thiazolidine-3-carboxamide
CID 4142914
(2S)-2-(3-chlorophenyl)-N-cyclohexyl-1,3-thiazolidine-3-carboxamide
CID 7414110
(2R)-N-(2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 7238468
[(2S)-2-(3-chlorophenyl)-1,3-thiazolidin-3-yl]-(2-methylphenyl)methanone
CID 7360453

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-bromophenyl)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carboxamide?
The IUPAC name of (2R)-N-(2-bromophenyl)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carboxamide (CID 7418004) is (2R)-N-(2-bromophenyl)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carboxamide.
What is the SMILES notation for (2R)-N-(2-bromophenyl)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carboxamide?
The canonical SMILES for (2R)-N-(2-bromophenyl)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carboxamide is O=C(Nc1ccccc1Br)N1CCS[C@@H]1c1cccc(Cl)c1.
What is the InChIKey of (2R)-N-(2-bromophenyl)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carboxamide?
The InChIKey is VAFUYNGWRVLJEX-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H14BrClN2OS/c17-13-6-1-2-7-14(13)19-16(21)20-8-9-22-15(20)11-4-3-5-12(18)10-11/h1-7,10,15H,8-9H2,(H,19,21)/t15-/m1/s1.
What are the key properties of (2R)-N-(2-bromophenyl)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carboxamide?
(2R)-N-(2-bromophenyl)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carboxamide has a molecular weight of 397.73 g/mol, XLogP of 5.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-bromophenyl)-2-(3-chlorophenyl)-1,3-thiazolidine-3-carboxamide is sourced from PubChem (CID 7418004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).