2-naphthalen-2-yl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid

C19H20N2O4S — CID 120543427

IUPAC2-naphthalen-2-yl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid
SMILESCCC(=O)N1CSCC1C(=O)NC(C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C19H20N2O4S/c1-2-16(22)21-11-26-10-15(21)18(23)20-17(19(24)25)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,15,17H,2,10-11H2,1H3,(H,20,23)(H,24,25)
InChIKeyUVOGUVRCPKHWKW-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.39
Rot. Bonds5

About 2-naphthalen-2-yl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid

2-naphthalen-2-yl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid (PubChem CID 120543427) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-naphthalen-2-yl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-naphthalen-2-yl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid
PubChem CID120543427
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name2-naphthalen-2-yl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid
SMILESCCC(=O)N1CSCC1C(=O)NC(C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C19H20N2O4S/c1-2-16(22)21-11-26-10-15(21)18(23)20-17(19(24)25)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,15,17H,2,10-11H2,1H3,(H,20,23)(H,24,25)
InChIKeyUVOGUVRCPKHWKW-UHFFFAOYSA-N
XLogP2.39
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-naphthalen-2-yl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid (CID 120543427) is 2-naphthalen-2-yl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-naphthalen-2-yl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-naphthalen-2-yl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid is CCC(=O)N1CSCC1C(=O)NC(C(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid?
The InChIKey is UVOGUVRCPKHWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-2-16(22)21-11-26-10-15(21)18(23)20-17(19(24)25)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,15,17H,2,10-11H2,1H3,(H,20,23)(H,24,25).
What are the key properties of 2-naphthalen-2-yl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid?
2-naphthalen-2-yl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid has a molecular weight of 372.45 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 120543427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).