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

C14H14N2O2S — CID 82134601

IUPAC4-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid
SMILESCNc1nc(-c2ccc3c(c2)CCC3)c(C(=O)O)s1
InChIInChI=1S/C14H14N2O2S/c1-15-14-16-11(12(19-14)13(17)18)10-6-5-8-3-2-4-9(8)7-10/h5-7H,2-4H2,1H3,(H,15,16)(H,17,18)
InChIKeyFSFUZGBVSMALGX-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.04
Rot. Bonds3

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

4-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid (PubChem CID 82134601) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid
PubChem CID82134601
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name4-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid
SMILESCNc1nc(-c2ccc3c(c2)CCC3)c(C(=O)O)s1
InChIInChI=1S/C14H14N2O2S/c1-15-14-16-11(12(19-14)13(17)18)10-6-5-8-3-2-4-9(8)7-10/h5-7H,2-4H2,1H3,(H,15,16)(H,17,18)
InChIKeyFSFUZGBVSMALGX-UHFFFAOYSA-N
XLogP3.04
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,5-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-amine
CID 39359852
4-(4-fluoro-3-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid
CID 82133814
2-(2,3-dihydro-1H-inden-5-yl)-6-(methylamino)pyrimidine-4-carboxylic acid
CID 116862394
3,5-diethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035242
4-(2,5-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid
CID 82133283
5-(2,3-dihydro-1H-inden-5-yl)-3-methylimidazole-4-carboxylic acid
CID 83672848
[5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]hydrazine
CID 82049669
4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-amine
CID 8878238
4-(3,4-dimethylphenyl)-2-(propanoylamino)-1,3-thiazole-5-carboxylic acid
CID 82226567
3-amino-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-2-carboxylic acid
CID 83971331
5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 55184374
N-[4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119774673

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid (CID 82134601) is 4-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid is CNc1nc(-c2ccc3c(c2)CCC3)c(C(=O)O)s1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is FSFUZGBVSMALGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-15-14-16-11(12(19-14)13(17)18)10-6-5-8-3-2-4-9(8)7-10/h5-7H,2-4H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid?
4-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 274.35 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82134601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).