(6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid

C8H10N2O2S — CID 86313335

IUPAC(6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
SMILESNc1nc2c(s1)C[C@H](C(=O)O)CC2
InChIInChI=1S/C8H10N2O2S/c9-8-10-5-2-1-4(7(11)12)3-6(5)13-8/h4H,1-3H2,(H2,9,10)(H,11,12)/t4-/m1/s1
InChIKeyPABNPIILXVLZMR-SCSAIBSYSA-N
MW198.25 g/mol
LogP0.91
Rot. Bonds1

About (6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid

(6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid (PubChem CID 86313335) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is (6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid.

Molecular Properties

Compound Name(6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
PubChem CID86313335
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name(6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
SMILESNc1nc2c(s1)C[C@H](C(=O)O)CC2
InChIInChI=1S/C8H10N2O2S/c9-8-10-5-2-1-4(7(11)12)3-6(5)13-8/h4H,1-3H2,(H2,9,10)(H,11,12)/t4-/m1/s1
InChIKeyPABNPIILXVLZMR-SCSAIBSYSA-N
XLogP0.91
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid?
The IUPAC name of (6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid (CID 86313335) is (6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid.
What is the SMILES notation for (6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid?
The canonical SMILES for (6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid is Nc1nc2c(s1)C[C@H](C(=O)O)CC2.
What is the InChIKey of (6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid?
The InChIKey is PABNPIILXVLZMR-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c9-8-10-5-2-1-4(7(11)12)3-6(5)13-8/h4H,1-3H2,(H2,9,10)(H,11,12)/t4-/m1/s1.
What are the key properties of (6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid?
(6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid has a molecular weight of 198.25 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid is sourced from PubChem (CID 86313335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).