[(6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate

C12H19N3O2S — CID 175514050

IUPAC[(6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@@H]1CCc2nc(N)sc2C1
InChIInChI=1S/C12H19N3O2S/c1-12(2,3)15-11(16)17-7-4-5-8-9(6-7)18-10(13)14-8/h7H,4-6H2,1-3H3,(H2,13,14)(H,15,16)/t7-/m1/s1
InChIKeyINPGKANIHIJCEO-SSDOTTSWSA-N
MW269.37 g/mol
LogP2.11
Rot. Bonds1

About [(6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate

[(6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate (PubChem CID 175514050) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is [(6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate
PubChem CID175514050
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name[(6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@@H]1CCc2nc(N)sc2C1
InChIInChI=1S/C12H19N3O2S/c1-12(2,3)15-11(16)17-7-4-5-8-9(6-7)18-10(13)14-8/h7H,4-6H2,1-3H3,(H2,13,14)(H,15,16)/t7-/m1/s1
InChIKeyINPGKANIHIJCEO-SSDOTTSWSA-N
XLogP2.11
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate 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-benzothiazol-6-yl] N-tert-butylcarbamate?
The IUPAC name of [(6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate (CID 175514050) is [(6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate.
What is the SMILES notation for [(6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate?
The canonical SMILES for [(6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)O[C@@H]1CCc2nc(N)sc2C1.
What is the InChIKey of [(6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate?
The InChIKey is INPGKANIHIJCEO-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-12(2,3)15-11(16)17-7-4-5-8-9(6-7)18-10(13)14-8/h7H,4-6H2,1-3H3,(H2,13,14)(H,15,16)/t7-/m1/s1.
What are the key properties of [(6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate?
[(6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate has a molecular weight of 269.37 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl] N-tert-butylcarbamate is sourced from PubChem (CID 175514050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).