2-[methyl(1,3-thiazolidine-4-carbonyl)amino]benzoic acid

C12H14N2O3S — CID 61159518

IUPAC2-[methyl(1,3-thiazolidine-4-carbonyl)amino]benzoic acid
SMILESCN(C(=O)C1CSCN1)c1ccccc1C(=O)O
InChIInChI=1S/C12H14N2O3S/c1-14(11(15)9-6-18-7-13-9)10-5-3-2-4-8(10)12(16)17/h2-5,9,13H,6-7H2,1H3,(H,16,17)
InChIKeyIRXWWWXKNLCJHL-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.01
Rot. Bonds3

About 2-[methyl(1,3-thiazolidine-4-carbonyl)amino]benzoic acid

2-[methyl(1,3-thiazolidine-4-carbonyl)amino]benzoic acid (PubChem CID 61159518) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[methyl(1,3-thiazolidine-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[methyl(1,3-thiazolidine-4-carbonyl)amino]benzoic acid
PubChem CID61159518
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name2-[methyl(1,3-thiazolidine-4-carbonyl)amino]benzoic acid
SMILESCN(C(=O)C1CSCN1)c1ccccc1C(=O)O
InChIInChI=1S/C12H14N2O3S/c1-14(11(15)9-6-18-7-13-9)10-5-3-2-4-8(10)12(16)17/h2-5,9,13H,6-7H2,1H3,(H,16,17)
InChIKeyIRXWWWXKNLCJHL-UHFFFAOYSA-N
XLogP1.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1,3-thiazolidine-4-carbonyl)amino]benzoic acid?
The IUPAC name of 2-[methyl(1,3-thiazolidine-4-carbonyl)amino]benzoic acid (CID 61159518) is 2-[methyl(1,3-thiazolidine-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-[methyl(1,3-thiazolidine-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-[methyl(1,3-thiazolidine-4-carbonyl)amino]benzoic acid is CN(C(=O)C1CSCN1)c1ccccc1C(=O)O.
What is the InChIKey of 2-[methyl(1,3-thiazolidine-4-carbonyl)amino]benzoic acid?
The InChIKey is IRXWWWXKNLCJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-14(11(15)9-6-18-7-13-9)10-5-3-2-4-8(10)12(16)17/h2-5,9,13H,6-7H2,1H3,(H,16,17).
What are the key properties of 2-[methyl(1,3-thiazolidine-4-carbonyl)amino]benzoic acid?
2-[methyl(1,3-thiazolidine-4-carbonyl)amino]benzoic acid has a molecular weight of 266.32 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1,3-thiazolidine-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 61159518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).