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

C16H17NO2S — CID 114359778

IUPAC2-(2,3-dihydro-1H-inden-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)c1nc(C2Cc3ccccc3C2)sc1C(=O)O
InChIInChI=1S/C16H17NO2S/c1-9(2)13-14(16(18)19)20-15(17-13)12-7-10-5-3-4-6-11(10)8-12/h3-6,9,12H,7-8H2,1-2H3,(H,18,19)
InChIKeyKIWMZTKABDKYRP-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.85
Rot. Bonds3

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

2-(2,3-dihydro-1H-inden-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 114359778) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
PubChem CID114359778
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name2-(2,3-dihydro-1H-inden-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)c1nc(C2Cc3ccccc3C2)sc1C(=O)O
InChIInChI=1S/C16H17NO2S/c1-9(2)13-14(16(18)19)20-15(17-13)12-7-10-5-3-4-6-11(10)8-12/h3-6,9,12H,7-8H2,1-2H3,(H,18,19)
InChIKeyKIWMZTKABDKYRP-UHFFFAOYSA-N
XLogP3.85
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-dihydro-1H-inden-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid with MolForge

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Related Compounds

2-(2,3-dihydro-1H-inden-2-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360356
4-cyclopropyl-2-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-5-carboxylic acid
CID 114360173
2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79396690
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64982498
2-(phenylcarbamoylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226441
2-cyclopropyl-4-propan-2-yl-1,3-thiazole-5-carbohydrazide
CID 82434583
2-(2-fluoro-N-methylanilino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79392561
2-[(2-chlorophenyl)sulfanylmethyl]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 114359875
2-[cyclopropyl(ethyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79393479
2-(cyclopropanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226430
2-(azepan-1-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79393406
2-imidazo[1,2-a]pyridin-2-yl-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 114360697

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid (CID 114359778) is 2-(2,3-dihydro-1H-inden-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid is CC(C)c1nc(C2Cc3ccccc3C2)sc1C(=O)O.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is KIWMZTKABDKYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-9(2)13-14(16(18)19)20-15(17-13)12-7-10-5-3-4-6-11(10)8-12/h3-6,9,12H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 2-(2,3-dihydro-1H-inden-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
2-(2,3-dihydro-1H-inden-2-yl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 287.38 g/mol, XLogP of 3.85, 3 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-propan-2-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114359778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).