3-[(3-acetyl-1,3-thiazolidine-4-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid

C16H18N2O4S — CID 138045895

IUPAC3-[(3-acetyl-1,3-thiazolidine-4-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESCC(=O)N1CSCC1C(=O)NC1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C16H18N2O4S/c1-9(19)18-8-23-7-14(18)15(20)17-13-6-12(16(21)22)10-4-2-3-5-11(10)13/h2-5,12-14H,6-8H2,1H3,(H,17,20)(H,21,22)
InChIKeyLPVDPRWJPVJMML-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.34
Rot. Bonds3

About 3-[(3-acetyl-1,3-thiazolidine-4-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid

3-[(3-acetyl-1,3-thiazolidine-4-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid (PubChem CID 138045895) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-[(3-acetyl-1,3-thiazolidine-4-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-acetyl-1,3-thiazolidine-4-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid
PubChem CID138045895
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name3-[(3-acetyl-1,3-thiazolidine-4-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESCC(=O)N1CSCC1C(=O)NC1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C16H18N2O4S/c1-9(19)18-8-23-7-14(18)15(20)17-13-6-12(16(21)22)10-4-2-3-5-11(10)13/h2-5,12-14H,6-8H2,1H3,(H,17,20)(H,21,22)
InChIKeyLPVDPRWJPVJMML-UHFFFAOYSA-N
XLogP1.34
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-acetyl-1,3-thiazolidine-4-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid?
The IUPAC name of 3-[(3-acetyl-1,3-thiazolidine-4-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid (CID 138045895) is 3-[(3-acetyl-1,3-thiazolidine-4-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid.
What is the SMILES notation for 3-[(3-acetyl-1,3-thiazolidine-4-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid?
The canonical SMILES for 3-[(3-acetyl-1,3-thiazolidine-4-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid is CC(=O)N1CSCC1C(=O)NC1CC(C(=O)O)c2ccccc21.
What is the InChIKey of 3-[(3-acetyl-1,3-thiazolidine-4-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid?
The InChIKey is LPVDPRWJPVJMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-9(19)18-8-23-7-14(18)15(20)17-13-6-12(16(21)22)10-4-2-3-5-11(10)13/h2-5,12-14H,6-8H2,1H3,(H,17,20)(H,21,22).
What are the key properties of 3-[(3-acetyl-1,3-thiazolidine-4-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid?
3-[(3-acetyl-1,3-thiazolidine-4-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid has a molecular weight of 334.40 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-acetyl-1,3-thiazolidine-4-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid is sourced from PubChem (CID 138045895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).