methyl (6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate

C9H12N2O2S — CID 86313336

IUPACmethyl (6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate
SMILESCOC(=O)[C@@H]1CCc2nc(N)sc2C1
InChIInChI=1S/C9H12N2O2S/c1-13-8(12)5-2-3-6-7(4-5)14-9(10)11-6/h5H,2-4H2,1H3,(H2,10,11)/t5-/m1/s1
InChIKeyRCGCBBOYWWGTDA-RXMQYKEDSA-N
MW212.27 g/mol
LogP1.00
Rot. Bonds1

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

methyl (6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate (PubChem CID 86313336) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is methyl (6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate.

Molecular Properties

Compound Namemethyl (6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate
PubChem CID86313336
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Namemethyl (6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate
SMILESCOC(=O)[C@@H]1CCc2nc(N)sc2C1
InChIInChI=1S/C9H12N2O2S/c1-13-8(12)5-2-3-6-7(4-5)14-9(10)11-6/h5H,2-4H2,1H3,(H2,10,11)/t5-/m1/s1
InChIKeyRCGCBBOYWWGTDA-RXMQYKEDSA-N
XLogP1.00
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Related Compounds

(6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
CID 86313335
2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
CID 15101103
methyl 2-acetamido-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate
CID 11637431
N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]acetamide
CID 86312812
N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)acetamide;dihydrobromide
CID 87704338
[(6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate
CID 175514050
methyl (6S)-2-amino-5,6,7,8-tetrahydroquinazoline-6-carboxylate
CID 99991123
methyl 3-[6-(3-methoxy-3-oxopropanoyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]cyclobutane-1-carboxylate
CID 155783557
ethyl 2-(propanoylamino)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate
CID 11630562
3-[(6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-1,1,1-trifluoropropan-2-one
CID 159865889
methyl N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanimidate
CID 21057909
N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]propanamide;(6S)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
CID 175005405

Frequently Asked Questions

What is the IUPAC name of methyl (6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate?
The IUPAC name of methyl (6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate (CID 86313336) is methyl (6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate.
What is the SMILES notation for methyl (6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate?
The canonical SMILES for methyl (6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate is COC(=O)[C@@H]1CCc2nc(N)sc2C1.
What is the InChIKey of methyl (6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate?
The InChIKey is RCGCBBOYWWGTDA-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-13-8(12)5-2-3-6-7(4-5)14-9(10)11-6/h5H,2-4H2,1H3,(H2,10,11)/t5-/m1/s1.
What are the key properties of methyl (6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate?
methyl (6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate has a molecular weight of 212.27 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylate is sourced from PubChem (CID 86313336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).