2-(2,3-dihydro-1H-inden-2-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid

C17H19NO2S — CID 114360356

IUPAC2-(2,3-dihydro-1H-inden-2-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
SMILESCC(C)Cc1nc(C2Cc3ccccc3C2)sc1C(=O)O
InChIInChI=1S/C17H19NO2S/c1-10(2)7-14-15(17(19)20)21-16(18-14)13-8-11-5-3-4-6-12(11)9-13/h3-6,10,13H,7-9H2,1-2H3,(H,19,20)
InChIKeyGNLLISPIHXCFOS-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.92
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-2-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid

2-(2,3-dihydro-1H-inden-2-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 114360356) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
PubChem CID114360356
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name2-(2,3-dihydro-1H-inden-2-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
SMILESCC(C)Cc1nc(C2Cc3ccccc3C2)sc1C(=O)O
InChIInChI=1S/C17H19NO2S/c1-10(2)7-14-15(17(19)20)21-16(18-14)13-8-11-5-3-4-6-12(11)9-13/h3-6,10,13H,7-9H2,1-2H3,(H,19,20)
InChIKeyGNLLISPIHXCFOS-UHFFFAOYSA-N
XLogP3.92
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-inden-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 114359778
4-cyclopropyl-2-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-5-carboxylic acid
CID 114360173
2-[(2-chlorophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360289
4-(2-methylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227048
2-(2-aminoethyl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114358572
4-(2-methylpropyl)-2-(methylsulfonylmethyl)-1,3-thiazole-5-carboxylic acid
CID 114360459
4-ethyl-2-(4-propan-2-ylcyclohexyl)-1,3-thiazole-5-carboxylic acid
CID 104838461
2-[2-(methylamino)ethyl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114358700
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64982498
2-[(3-chloro-2-fluorophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360366
2-[4-(aminomethyl)phenyl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114358886
4-(carboxymethyl)-2-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 82391389

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid (CID 114360356) is 2-(2,3-dihydro-1H-inden-2-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid is CC(C)Cc1nc(C2Cc3ccccc3C2)sc1C(=O)O.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is GNLLISPIHXCFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-10(2)7-14-15(17(19)20)21-16(18-14)13-8-11-5-3-4-6-12(11)9-13/h3-6,10,13H,7-9H2,1-2H3,(H,19,20).
What are the key properties of 2-(2,3-dihydro-1H-inden-2-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid?
2-(2,3-dihydro-1H-inden-2-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 301.41 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114360356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).