(4R)-3-[1-(4-bromophenyl)cyclopropanecarbonyl]-1,3-thiazolidine-4-carboxylic acid

C14H14BrNO3S — CID 61144833

IUPAC(4R)-3-[1-(4-bromophenyl)cyclopropanecarbonyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C14H14BrNO3S/c15-10-3-1-9(2-4-10)14(5-6-14)13(19)16-8-20-7-11(16)12(17)18/h1-4,11H,5-8H2,(H,17,18)/t11-/m0/s1
InChIKeyUCBZDLUPIRNZIS-NSHDSACASA-N
MW356.24 g/mol
LogP2.47
Rot. Bonds3

About (4R)-3-[1-(4-bromophenyl)cyclopropanecarbonyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[1-(4-bromophenyl)cyclopropanecarbonyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61144833) has the molecular formula C14H14BrNO3S and a molecular weight of 356.24 g/mol. Its IUPAC name is (4R)-3-[1-(4-bromophenyl)cyclopropanecarbonyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[1-(4-bromophenyl)cyclopropanecarbonyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID61144833
Molecular FormulaC14H14BrNO3S
Molecular Weight356.24 g/mol
Exact Mass354.99
IUPAC Name(4R)-3-[1-(4-bromophenyl)cyclopropanecarbonyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C14H14BrNO3S/c15-10-3-1-9(2-4-10)14(5-6-14)13(19)16-8-20-7-11(16)12(17)18/h1-4,11H,5-8H2,(H,17,18)/t11-/m0/s1
InChIKeyUCBZDLUPIRNZIS-NSHDSACASA-N
XLogP2.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.24
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-bromophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43357045
4-[1-(4-aminophenyl)cyclopropanecarbonyl]thiomorpholine-3-carboxylic acid
CID 115913897
(4R)-3-[4-(4-bromophenyl)-4-oxobutanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 70534232
3-(1-aminocyclopropanecarbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 65466419
methyl (4S)-3-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,3-thiazolidine-4-carboxylate
CID 142504337
3-(5-bromo-2-chlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359168
3-(3,5-dibromobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 107971194
4-[1-(4-bromophenyl)cyclopropanecarbonyl]-3-methylpiperazine-2,6-dione
CID 66063502
3-(1-aminocyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 81172472
(4R)-3-(4-aminooxane-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 113280688
[1-(4-bromophenyl)cyclopropyl]-piperidin-1-ylmethanone
CID 60715919
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[1-(4-bromophenyl)cyclopropanecarbonyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[1-(4-bromophenyl)cyclopropanecarbonyl]-1,3-thiazolidine-4-carboxylic acid (CID 61144833) is (4R)-3-[1-(4-bromophenyl)cyclopropanecarbonyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[1-(4-bromophenyl)cyclopropanecarbonyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[1-(4-bromophenyl)cyclopropanecarbonyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)C1(c2ccc(Br)cc2)CC1.
What is the InChIKey of (4R)-3-[1-(4-bromophenyl)cyclopropanecarbonyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is UCBZDLUPIRNZIS-NSHDSACASA-N. The full InChI is InChI=1S/C14H14BrNO3S/c15-10-3-1-9(2-4-10)14(5-6-14)13(19)16-8-20-7-11(16)12(17)18/h1-4,11H,5-8H2,(H,17,18)/t11-/m0/s1.
What are the key properties of (4R)-3-[1-(4-bromophenyl)cyclopropanecarbonyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[1-(4-bromophenyl)cyclopropanecarbonyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 356.24 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[1-(4-bromophenyl)cyclopropanecarbonyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61144833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).