2-[2-(1,3-thiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid

C16H16N2O3S — CID 135337060

IUPAC2-[2-(1,3-thiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid
SMILESO=C(O)CC1(C(=O)NCc2nccs2)Cc2ccccc2C1
InChIInChI=1S/C16H16N2O3S/c19-14(20)9-16(7-11-3-1-2-4-12(11)8-16)15(21)18-10-13-17-5-6-22-13/h1-6H,7-10H2,(H,18,21)(H,19,20)
InChIKeyBVWNBQNMYGCSBN-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.02
Rot. Bonds5

About 2-[2-(1,3-thiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid

2-[2-(1,3-thiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid (PubChem CID 135337060) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-[2-(1,3-thiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(1,3-thiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid
PubChem CID135337060
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC Name2-[2-(1,3-thiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid
SMILESO=C(O)CC1(C(=O)NCc2nccs2)Cc2ccccc2C1
InChIInChI=1S/C16H16N2O3S/c19-14(20)9-16(7-11-3-1-2-4-12(11)8-16)15(21)18-10-13-17-5-6-22-13/h1-6H,7-10H2,(H,18,21)(H,19,20)
InChIKeyBVWNBQNMYGCSBN-UHFFFAOYSA-N
XLogP2.02
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(1,3-thiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-thiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid?
The IUPAC name of 2-[2-(1,3-thiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid (CID 135337060) is 2-[2-(1,3-thiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid.
What is the SMILES notation for 2-[2-(1,3-thiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid?
The canonical SMILES for 2-[2-(1,3-thiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid is O=C(O)CC1(C(=O)NCc2nccs2)Cc2ccccc2C1.
What is the InChIKey of 2-[2-(1,3-thiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid?
The InChIKey is BVWNBQNMYGCSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c19-14(20)9-16(7-11-3-1-2-4-12(11)8-16)15(21)18-10-13-17-5-6-22-13/h1-6H,7-10H2,(H,18,21)(H,19,20).
What are the key properties of 2-[2-(1,3-thiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid?
2-[2-(1,3-thiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid has a molecular weight of 316.38 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-thiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid is sourced from PubChem (CID 135337060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).