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

C16H15NO2S — CID 114360173

IUPAC4-cyclopropyl-2-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(C2Cc3ccccc3C2)nc1C1CC1
InChIInChI=1S/C16H15NO2S/c18-16(19)14-13(9-5-6-9)17-15(20-14)12-7-10-3-1-2-4-11(10)8-12/h1-4,9,12H,5-8H2,(H,18,19)
InChIKeyNZVOXHOFRYNSFO-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.60
Rot. Bonds3

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

4-cyclopropyl-2-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 114360173) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-cyclopropyl-2-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID114360173
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name4-cyclopropyl-2-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1sc(C2Cc3ccccc3C2)nc1C1CC1
InChIInChI=1S/C16H15NO2S/c18-16(19)14-13(9-5-6-9)17-15(20-14)12-7-10-3-1-2-4-11(10)8-12/h1-4,9,12H,5-8H2,(H,18,19)
InChIKeyNZVOXHOFRYNSFO-UHFFFAOYSA-N
XLogP3.60
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.60
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
2-(2,3-dihydro-1H-inden-2-yl)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360356
2-(4-tert-butylcyclohexyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114360204
4-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 94970953
2-cyclopropyl-4-(oxolan-3-yl)-1,3-thiazole-5-carboxylic acid
CID 115043101
2-[(2-bromophenyl)methyl]-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114360188
2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 98022837
4-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 98019165
4-cyclopropyl-2-[(2-phenoxyacetyl)amino]-1,3-thiazole-5-carboxylic acid
CID 94970372
4-cyclopropyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid
CID 114360273
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64982498
2-[(4-chlorophenyl)sulfanylmethyl]-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114360231

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-5-carboxylic acid (CID 114360173) is 4-cyclopropyl-2-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1sc(C2Cc3ccccc3C2)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-2-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is NZVOXHOFRYNSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c18-16(19)14-13(9-5-6-9)17-15(20-14)12-7-10-3-1-2-4-11(10)8-12/h1-4,9,12H,5-8H2,(H,18,19).
What are the key properties of 4-cyclopropyl-2-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-5-carboxylic acid?
4-cyclopropyl-2-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 285.37 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114360173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).