N-(2-bromo-3-chlorophenyl)-1,3-thiazolidine-4-carboxamide

C10H10BrClN2OS — CID 103479490

IUPACN-(2-bromo-3-chlorophenyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Br)C1CSCN1
InChIInChI=1S/C10H10BrClN2OS/c11-9-6(12)2-1-3-7(9)14-10(15)8-4-16-5-13-8/h1-3,8,13H,4-5H2,(H,14,15)
InChIKeyFVRYCHQBGNDVBR-UHFFFAOYSA-N
MW321.63 g/mol
LogP2.70
Rot. Bonds2

About N-(2-bromo-3-chlorophenyl)-1,3-thiazolidine-4-carboxamide

N-(2-bromo-3-chlorophenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 103479490) has the molecular formula C10H10BrClN2OS and a molecular weight of 321.63 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID103479490
Molecular FormulaC10H10BrClN2OS
Molecular Weight321.63 g/mol
Exact Mass319.94
IUPAC NameN-(2-bromo-3-chlorophenyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Br)C1CSCN1
InChIInChI=1S/C10H10BrClN2OS/c11-9-6(12)2-1-3-7(9)14-10(15)8-4-16-5-13-8/h1-3,8,13H,4-5H2,(H,14,15)
InChIKeyFVRYCHQBGNDVBR-UHFFFAOYSA-N
XLogP2.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.63
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-N-(2-chlorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261984
N-[3-chloro-2-(dimethylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43697653
N-(5-bromo-2-chlorophenyl)-1,3-thiazolidine-4-carboxamide
CID 62908918
N-(2,3-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261895
N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103479491
N-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 79602563
N-(2-phenylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24694917
N-(2-chloro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43122672
N-(3-chloro-2-pyridinyl)-1,3-thiazolidine-4-carboxamide
CID 103094179
N-(2-methylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43702716
N-(3-fluoro-2-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281804
N-(3-bromoquinolin-8-yl)-1,3-thiazolidine-4-carboxamide
CID 116784376

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-1,3-thiazolidine-4-carboxamide (CID 103479490) is N-(2-bromo-3-chlorophenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-1,3-thiazolidine-4-carboxamide is O=C(Nc1cccc(Cl)c1Br)C1CSCN1.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is FVRYCHQBGNDVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2OS/c11-9-6(12)2-1-3-7(9)14-10(15)8-4-16-5-13-8/h1-3,8,13H,4-5H2,(H,14,15).
What are the key properties of N-(2-bromo-3-chlorophenyl)-1,3-thiazolidine-4-carboxamide?
N-(2-bromo-3-chlorophenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 321.63 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 103479490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).