1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid

C14H12N2O3S — CID 102711009

IUPAC1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid
SMILESCc1ncc(CN2C(=O)Cc3ccc(C(=O)O)cc32)s1
InChIInChI=1S/C14H12N2O3S/c1-8-15-6-11(20-8)7-16-12-4-10(14(18)19)3-2-9(12)5-13(16)17/h2-4,6H,5,7H2,1H3,(H,18,19)
InChIKeyXYZUSSWMEMGZAR-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.24
Rot. Bonds3

About 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid

1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid (PubChem CID 102711009) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid
PubChem CID102711009
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid
SMILESCc1ncc(CN2C(=O)Cc3ccc(C(=O)O)cc32)s1
InChIInChI=1S/C14H12N2O3S/c1-8-15-6-11(20-8)7-16-12-4-10(14(18)19)3-2-9(12)5-13(16)17/h2-4,6H,5,7H2,1H3,(H,18,19)
InChIKeyXYZUSSWMEMGZAR-UHFFFAOYSA-N
XLogP2.24
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid (CID 102711009) is 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid is Cc1ncc(CN2C(=O)Cc3ccc(C(=O)O)cc32)s1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid?
The InChIKey is XYZUSSWMEMGZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-8-15-6-11(20-8)7-16-12-4-10(14(18)19)3-2-9(12)5-13(16)17/h2-4,6H,5,7H2,1H3,(H,18,19).
What are the key properties of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid?
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid has a molecular weight of 288.33 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxo-3H-indole-6-carboxylic acid is sourced from PubChem (CID 102711009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).