(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

C8H12N2S — CID 7059114

IUPAC(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESC[C@H]1CCc2nc(N)sc2C1
InChIInChI=1S/C8H12N2S/c1-5-2-3-6-7(4-5)11-8(9)10-6/h5H,2-4H2,1H3,(H2,9,10)/t5-/m0/s1
InChIKeyPWQFLEIGKAIACN-YFKPBYRVSA-N
MW168.26 g/mol
LogP1.85
Rot. Bonds

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

(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 7059114) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is (6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID7059114
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESC[C@H]1CCc2nc(N)sc2C1
InChIInChI=1S/C8H12N2S/c1-5-2-3-6-7(4-5)11-8(9)10-6/h5H,2-4H2,1H3,(H2,9,10)/t5-/m0/s1
InChIKeyPWQFLEIGKAIACN-YFKPBYRVSA-N
XLogP1.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of (6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 7059114) is (6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for (6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for (6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is C[C@H]1CCc2nc(N)sc2C1.
What is the InChIKey of (6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is PWQFLEIGKAIACN-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H12N2S/c1-5-2-3-6-7(4-5)11-8(9)10-6/h5H,2-4H2,1H3,(H2,9,10)/t5-/m0/s1.
What are the key properties of (6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 168.26 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 7059114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).