3-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid

C11H11BrN2O5S — CID 43359457

IUPAC3-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(NCC(=O)N1CSCC1C(=O)O)c1ccc(Br)o1
InChIInChI=1S/C11H11BrN2O5S/c12-8-2-1-7(19-8)10(16)13-3-9(15)14-5-20-4-6(14)11(17)18/h1-2,6H,3-5H2,(H,13,16)(H,17,18)
InChIKeyVZJZBFDFRBGMPQ-UHFFFAOYSA-N
MW363.19 g/mol
LogP0.76
Rot. Bonds4

About 3-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid

3-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43359457) has the molecular formula C11H11BrN2O5S and a molecular weight of 363.19 g/mol. Its IUPAC name is 3-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID43359457
Molecular FormulaC11H11BrN2O5S
Molecular Weight363.19 g/mol
Exact Mass361.96
IUPAC Name3-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(NCC(=O)N1CSCC1C(=O)O)c1ccc(Br)o1
InChIInChI=1S/C11H11BrN2O5S/c12-8-2-1-7(19-8)10(16)13-3-9(15)14-5-20-4-6(14)11(17)18/h1-2,6H,3-5H2,(H,13,16)(H,17,18)
InChIKeyVZJZBFDFRBGMPQ-UHFFFAOYSA-N
XLogP0.76
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.19
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-3-[2-(thiophene-2-carbonylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 61144843
3-[2-[(2-aminoacetyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 61159117
5-bromo-N-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 47102374
5-bromo-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 61408960
5-bromo-N-[2-[2-(4-bromophenyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 55955381
(4S)-3-(5-bromofuran-2-carbonyl)-N-[(2S)-butan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 97315914
5-bromo-N-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 62468460
5-bromo-N-[2-oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl]furan-2-carboxamide
CID 154835131
3-(2-phenoxyacetyl)-1,3-thiazolidine-4-carboxylic acid
CID 24700572
3-[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 82962457
5-bromo-N-[[(2S)-oxiran-2-yl]methyl]furan-2-carboxamide
CID 97180803
methyl 1-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]piperidine-4-carboxylate
CID 51166514

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid (CID 43359457) is 3-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid is O=C(NCC(=O)N1CSCC1C(=O)O)c1ccc(Br)o1.
What is the InChIKey of 3-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is VZJZBFDFRBGMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O5S/c12-8-2-1-7(19-8)10(16)13-3-9(15)14-5-20-4-6(14)11(17)18/h1-2,6H,3-5H2,(H,13,16)(H,17,18).
What are the key properties of 3-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid?
3-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 363.19 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5-bromofuran-2-carbonyl)amino]acetyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43359457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).