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

C8H14N2S — CID 153264062

IUPAC(6S)-6-methyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine
SMILESC[C@H]1CCC2=C(C1)SC(N)N2
InChIInChI=1S/C8H14N2S/c1-5-2-3-6-7(4-5)11-8(9)10-6/h5,8,10H,2-4,9H2,1H3/t5-,8?/m0/s1
InChIKeyWVUUEFXYXCGFCN-NTFOPCPOSA-N
MW170.28 g/mol
LogP1.60
Rot. Bonds

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

(6S)-6-methyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine (PubChem CID 153264062) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is (6S)-6-methyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name(6S)-6-methyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine
PubChem CID153264062
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name(6S)-6-methyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine
SMILESC[C@H]1CCC2=C(C1)SC(N)N2
InChIInChI=1S/C8H14N2S/c1-5-2-3-6-7(4-5)11-8(9)10-6/h5,8,10H,2-4,9H2,1H3/t5-,8?/m0/s1
InChIKeyWVUUEFXYXCGFCN-NTFOPCPOSA-N
XLogP1.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine?
The IUPAC name of (6S)-6-methyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine (CID 153264062) is (6S)-6-methyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for (6S)-6-methyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for (6S)-6-methyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine is C[C@H]1CCC2=C(C1)SC(N)N2.
What is the InChIKey of (6S)-6-methyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine?
The InChIKey is WVUUEFXYXCGFCN-NTFOPCPOSA-N. The full InChI is InChI=1S/C8H14N2S/c1-5-2-3-6-7(4-5)11-8(9)10-6/h5,8,10H,2-4,9H2,1H3/t5-,8?/m0/s1.
What are the key properties of (6S)-6-methyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine?
(6S)-6-methyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine has a molecular weight of 170.28 g/mol, XLogP of 1.60, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 153264062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).