(6R)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

C12H20N2S — CID 7148249

IUPAC(6R)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCCC(C)(C)[C@@H]1CCc2nc(N)sc2C1
InChIInChI=1S/C12H20N2S/c1-4-12(2,3)8-5-6-9-10(7-8)15-11(13)14-9/h8H,4-7H2,1-3H3,(H2,13,14)/t8-/m1/s1
InChIKeyUWAQUYBLJCIERB-MRVPVSSYSA-N
MW224.37 g/mol
LogP3.27
Rot. Bonds2

About (6R)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

(6R)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 7148249) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is (6R)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name(6R)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID7148249
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name(6R)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESCCC(C)(C)[C@@H]1CCc2nc(N)sc2C1
InChIInChI=1S/C12H20N2S/c1-4-12(2,3)8-5-6-9-10(7-8)15-11(13)14-9/h8H,4-7H2,1-3H3,(H2,13,14)/t8-/m1/s1
InChIKeyUWAQUYBLJCIERB-MRVPVSSYSA-N
XLogP3.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6R)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine with MolForge

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Related Compounds

1-[6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]butan-2-amine
CID 62646070
6-(2-methylbutan-2-yl)-2-piperidin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 62541069
6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydrochloride
CID 11615735
6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;hydroiodide
CID 131853542
6-N-ethyl-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
CID 88569221
(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;dichloride;hydrate
CID 154730531
6-tert-butyl-2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 47003540
6-N-propan-2-yl-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
CID 88585864
6-tert-butyl-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole;ethane
CID 163248763
N-ethyl-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 64754030
6-N-ethenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
CID 163809537
6-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 82294455

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of (6R)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 7148249) is (6R)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for (6R)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for (6R)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is CCC(C)(C)[C@@H]1CCc2nc(N)sc2C1.
What is the InChIKey of (6R)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is UWAQUYBLJCIERB-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-4-12(2,3)8-5-6-9-10(7-8)15-11(13)14-9/h8H,4-7H2,1-3H3,(H2,13,14)/t8-/m1/s1.
What are the key properties of (6R)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
(6R)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 224.37 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 7148249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).