2-[2-[(4-phenyl-1,3-thiazol-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid

C22H20N2O3S — CID 146452207

IUPAC2-[2-[(4-phenyl-1,3-thiazol-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid
SMILESO=C(O)CC1(C(=O)NCc2nc(-c3ccccc3)cs2)Cc2ccccc2C1
InChIInChI=1S/C22H20N2O3S/c25-20(26)12-22(10-16-8-4-5-9-17(16)11-22)21(27)23-13-19-24-18(14-28-19)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,23,27)(H,25,26)
InChIKeyMQSGWKNPGWVMGT-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.69
Rot. Bonds6

About 2-[2-[(4-phenyl-1,3-thiazol-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid

2-[2-[(4-phenyl-1,3-thiazol-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid (PubChem CID 146452207) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-[2-[(4-phenyl-1,3-thiazol-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-phenyl-1,3-thiazol-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid
PubChem CID146452207
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name2-[2-[(4-phenyl-1,3-thiazol-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid
SMILESO=C(O)CC1(C(=O)NCc2nc(-c3ccccc3)cs2)Cc2ccccc2C1
InChIInChI=1S/C22H20N2O3S/c25-20(26)12-22(10-16-8-4-5-9-17(16)11-22)21(27)23-13-19-24-18(14-28-19)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,23,27)(H,25,26)
InChIKeyMQSGWKNPGWVMGT-UHFFFAOYSA-N
XLogP3.69
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(4-phenyl-1,3-thiazol-2-yl)methylcarbamoyl]-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

Related Compounds

2-[2-(1,3-Benzothiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]ethanoic acid
CID 135338802
2-[2-(1,3-Thiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]acetic acid
CID 135337060
6-((2-(2-Phenylthiazol-4-yl)ethyl)carbamoyl)cyclohex-3-enecarboxylic acid
CID 6623460
2-[2-[2-(1,3-Benzothiazol-2-yl)ethylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid
CID 135336824
(3R)-3-benzyl-4-[[4-[2-(3,5-difluorophenyl)phenyl]-1,3-thiazol-2-yl]methylamino]-4-oxobutanoic acid
CID 67402477
(3R)-3-benzyl-4-[[4-[2-(3-fluorophenyl)phenyl]-1,3-thiazol-2-yl]methylamino]-4-oxobutanoic acid
CID 68628814
(3S)-3-[[4-(2-fluoro-3-methylphenyl)-1,3-thiazole-2-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 71239732
3-[[4-(2-Fluoro-3-methylphenyl)-1,3-thiazole-2-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 71239734
(3S)-3-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 71239841
3-[[2-(2-Fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 71239842
(3S)-3-[[2-(2-fluoro-3-methylphenyl)-1,3-thiazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 71239937
3-[[2-(2-Fluoro-3-methylphenyl)-1,3-thiazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 71239940

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-phenyl-1,3-thiazol-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid?
The IUPAC name of 2-[2-[(4-phenyl-1,3-thiazol-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid (CID 146452207) is 2-[2-[(4-phenyl-1,3-thiazol-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid.
What is the SMILES notation for 2-[2-[(4-phenyl-1,3-thiazol-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid?
The canonical SMILES for 2-[2-[(4-phenyl-1,3-thiazol-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid is O=C(O)CC1(C(=O)NCc2nc(-c3ccccc3)cs2)Cc2ccccc2C1.
What is the InChIKey of 2-[2-[(4-phenyl-1,3-thiazol-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid?
The InChIKey is MQSGWKNPGWVMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c25-20(26)12-22(10-16-8-4-5-9-17(16)11-22)21(27)23-13-19-24-18(14-28-19)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,23,27)(H,25,26).
What are the key properties of 2-[2-[(4-phenyl-1,3-thiazol-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid?
2-[2-[(4-phenyl-1,3-thiazol-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid has a molecular weight of 392.48 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-phenyl-1,3-thiazol-2-yl)methylcarbamoyl]-1,3-dihydroinden-2-yl]acetic acid is sourced from PubChem (CID 146452207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).