(6R)-2-butyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine

C12H20N2S — CID 99908843

IUPAC(6R)-2-butyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
SMILESCCCCc1nc2c(s1)C[C@H](NC)CC2
InChIInChI=1S/C12H20N2S/c1-3-4-5-12-14-10-7-6-9(13-2)8-11(10)15-12/h9,13H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyLJOCNSOFWDUDTK-SECBINFHSA-N
MW224.37 g/mol
LogP2.56
Rot. Bonds4

About (6R)-2-butyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine

(6R)-2-butyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine (PubChem CID 99908843) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is (6R)-2-butyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name(6R)-2-butyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
PubChem CID99908843
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name(6R)-2-butyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
SMILESCCCCc1nc2c(s1)C[C@H](NC)CC2
InChIInChI=1S/C12H20N2S/c1-3-4-5-12-14-10-7-6-9(13-2)8-11(10)15-12/h9,13H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyLJOCNSOFWDUDTK-SECBINFHSA-N
XLogP2.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-butyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
The IUPAC name of (6R)-2-butyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine (CID 99908843) is (6R)-2-butyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine.
What is the SMILES notation for (6R)-2-butyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
The canonical SMILES for (6R)-2-butyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine is CCCCc1nc2c(s1)C[C@H](NC)CC2.
What is the InChIKey of (6R)-2-butyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
The InChIKey is LJOCNSOFWDUDTK-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N2S/c1-3-4-5-12-14-10-7-6-9(13-2)8-11(10)15-12/h9,13H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of (6R)-2-butyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine?
(6R)-2-butyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine has a molecular weight of 224.37 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-butyl-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine is sourced from PubChem (CID 99908843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).