2-amino-4-(1-methylindol-3-yl)-1,3-thiazole-5-carboxylic acid

C13H11N3O2S — CID 82306655

IUPAC2-amino-4-(1-methylindol-3-yl)-1,3-thiazole-5-carboxylic acid
SMILESCn1cc(-c2nc(N)sc2C(=O)O)c2ccccc21
InChIInChI=1S/C13H11N3O2S/c1-16-6-8(7-4-2-3-5-9(7)16)10-11(12(17)18)19-13(14)15-10/h2-6H,1H3,(H2,14,15)(H,17,18)
InChIKeySOYNFTDFHCRHCB-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.58
Rot. Bonds2

About 2-amino-4-(1-methylindol-3-yl)-1,3-thiazole-5-carboxylic acid

2-amino-4-(1-methylindol-3-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 82306655) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 2-amino-4-(1-methylindol-3-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-(1-methylindol-3-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID82306655
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name2-amino-4-(1-methylindol-3-yl)-1,3-thiazole-5-carboxylic acid
SMILESCn1cc(-c2nc(N)sc2C(=O)O)c2ccccc21
InChIInChI=1S/C13H11N3O2S/c1-16-6-8(7-4-2-3-5-9(7)16)10-11(12(17)18)19-13(14)15-10/h2-6H,1H3,(H2,14,15)(H,17,18)
InChIKeySOYNFTDFHCRHCB-UHFFFAOYSA-N
XLogP2.58
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(1-methylindol-3-yl)thiophene-2-carboxylic acid
CID 82306347
5-methyl-3-(1-methylindol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 82482196
4-(1,5-dimethylindol-3-yl)-5-methyl-1,3-thiazol-2-amine
CID 2032120
2-methyl-6-(1-methylindol-3-yl)pyrimidine-4-carboxylic acid
CID 82304798
5-(1-methylindol-3-yl)-1H-imidazole-2-carboxylic acid
CID 116884476
5-methyl-4-(1-methylindol-3-yl)thiophen-2-amine
CID 82477886
2-(1-methylindol-3-yl)aniline
CID 138983733
7-(methylamino)-3-(1-methylindol-3-yl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
CID 82554644
2-[5-methyl-3-(1-methylindol-3-yl)-1H-pyrazol-4-yl]acetic acid
CID 82487890
1-methyl-3-[4-(1-methylindol-3-yl)-1H-pyrrol-3-yl]indole
CID 141098979
methyl 2-chloro-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate
CID 118607795
5-methyl-1-(1-methylindol-3-yl)pyrazole-4-carboxylic acid
CID 82482197

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1-methylindol-3-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-amino-4-(1-methylindol-3-yl)-1,3-thiazole-5-carboxylic acid (CID 82306655) is 2-amino-4-(1-methylindol-3-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-amino-4-(1-methylindol-3-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-amino-4-(1-methylindol-3-yl)-1,3-thiazole-5-carboxylic acid is Cn1cc(-c2nc(N)sc2C(=O)O)c2ccccc21.
What is the InChIKey of 2-amino-4-(1-methylindol-3-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is SOYNFTDFHCRHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-16-6-8(7-4-2-3-5-9(7)16)10-11(12(17)18)19-13(14)15-10/h2-6H,1H3,(H2,14,15)(H,17,18).
What are the key properties of 2-amino-4-(1-methylindol-3-yl)-1,3-thiazole-5-carboxylic acid?
2-amino-4-(1-methylindol-3-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 273.32 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1-methylindol-3-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82306655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).