2-[[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid

C21H17ClN2O3S — CID 134601715

IUPAC2-[[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(Cc1csc(-c2cccc(Cl)c2)n1)NC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C21H17ClN2O3S/c22-16-7-3-6-13(8-16)19-23-17(12-28-19)9-18(25)24-21(20(26)27)10-14-4-1-2-5-15(14)11-21/h1-8,12H,9-11H2,(H,24,25)(H,26,27)
InChIKeyXHMKAWJXKWDCBU-UHFFFAOYSA-N
MW412.90 g/mol
LogP3.74
Rot. Bonds5

About 2-[[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid

2-[[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 134601715) has the molecular formula C21H17ClN2O3S and a molecular weight of 412.90 g/mol. Its IUPAC name is 2-[[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid
PubChem CID134601715
Molecular FormulaC21H17ClN2O3S
Molecular Weight412.90 g/mol
Exact Mass412.06
IUPAC Name2-[[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(Cc1csc(-c2cccc(Cl)c2)n1)NC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C21H17ClN2O3S/c22-16-7-3-6-13(8-16)19-23-17(12-28-19)9-18(25)24-21(20(26)27)10-14-4-1-2-5-15(14)11-21/h1-8,12H,9-11H2,(H,24,25)(H,26,27)
InChIKeyXHMKAWJXKWDCBU-UHFFFAOYSA-N
XLogP3.74
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid with MolForge

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Related Compounds

2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 16560777
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
CID 9399582
(2S)-2-[[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-3-phenylpropanoic acid
CID 45492023
1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089439
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 9488944
N'-[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]pyridine-2-carbohydrazide
CID 17495634
N-(4-chloro-2-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 7741839
(2R)-2-[[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methylsulfanylbutanoic acid
CID 124647560
N-(3-chlorophenyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8777109
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-fluoro-5-methylphenyl)acetamide
CID 9455183
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 16563397
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluoro-2-methylphenyl)acetamide
CID 16560761

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid (CID 134601715) is 2-[[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid is O=C(Cc1csc(-c2cccc(Cl)c2)n1)NC1(C(=O)O)Cc2ccccc2C1.
What is the InChIKey of 2-[[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is XHMKAWJXKWDCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3S/c22-16-7-3-6-13(8-16)19-23-17(12-28-19)9-18(25)24-21(20(26)27)10-14-4-1-2-5-15(14)11-21/h1-8,12H,9-11H2,(H,24,25)(H,26,27).
What are the key properties of 2-[[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid?
2-[[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 412.90 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 134601715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).