(4R)-3-[(5-bromo-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

C10H10BrN3O3S — CID 114222520

IUPAC(4R)-3-[(5-bromo-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)Nc1cncc(Br)c1
InChIInChI=1S/C10H10BrN3O3S/c11-6-1-7(3-12-2-6)13-10(17)14-5-18-4-8(14)9(15)16/h1-3,8H,4-5H2,(H,13,17)(H,15,16)/t8-/m0/s1
InChIKeyVYNXWWBKZIWQLE-QMMMGPOBSA-N
MW332.18 g/mol
LogP1.84
Rot. Bonds2

About (4R)-3-[(5-bromo-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[(5-bromo-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 114222520) has the molecular formula C10H10BrN3O3S and a molecular weight of 332.18 g/mol. Its IUPAC name is (4R)-3-[(5-bromo-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[(5-bromo-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID114222520
Molecular FormulaC10H10BrN3O3S
Molecular Weight332.18 g/mol
Exact Mass330.96
IUPAC Name(4R)-3-[(5-bromo-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)Nc1cncc(Br)c1
InChIInChI=1S/C10H10BrN3O3S/c11-6-1-7(3-12-2-6)13-10(17)14-5-18-4-8(14)9(15)16/h1-3,8H,4-5H2,(H,13,17)(H,15,16)/t8-/m0/s1
InChIKeyVYNXWWBKZIWQLE-QMMMGPOBSA-N
XLogP1.84
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-3-[(4-bromo-3-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 65437388
3-[(4-bromo-3-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 65436999
3-(quinolin-3-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 62781800
(4R)-3-[(4-acetamidophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183048
4-[(5-fluoro-3-pyridinyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 114254248
3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43437733
3-[(4-cyanophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 24690033
3-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183483
3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63327691
3-[(4-fluoro-3-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62814100
3-[(2-bromo-4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183423
3-[(4-sulfamoylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61185499

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(5-bromo-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[(5-bromo-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 114222520) is (4R)-3-[(5-bromo-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[(5-bromo-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[(5-bromo-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)Nc1cncc(Br)c1.
What is the InChIKey of (4R)-3-[(5-bromo-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is VYNXWWBKZIWQLE-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H10BrN3O3S/c11-6-1-7(3-12-2-6)13-10(17)14-5-18-4-8(14)9(15)16/h1-3,8H,4-5H2,(H,13,17)(H,15,16)/t8-/m0/s1.
What are the key properties of (4R)-3-[(5-bromo-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[(5-bromo-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 332.18 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(5-bromo-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 114222520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).