[4-(6-amino-5-methoxy-1,3-benzothiazol-2-yl)cyclohexyl]methanol

C₁₅H₂₀N₂O₂S — CID 164566999

About [4-(6-amino-5-methoxy-1,3-benzothiazol-2-yl)cyclohexyl]methanol

[4-(6-amino-5-methoxy-1,3-benzothiazol-2-yl)cyclohexyl]methanol (PubChem CID 164566999) has the molecular formula C₁₅H₂₀N₂O₂S and a molecular weight of 292.40 g/mol. Its IUPAC name is [4-(6-amino-5-methoxy-1,3-benzothiazol-2-yl)cyclohexyl]methanol.

Molecular Properties

• Compound Name: [4-(6-amino-5-methoxy-1,3-benzothiazol-2-yl)cyclohexyl]methanol
• PubChem CID: 164566999
• Molecular Formula: C₁₅H₂₀N₂O₂S
• Molecular Weight: 292.40 g/mol
• Exact Mass: 292.12
• IUPAC Name: [4-(6-amino-5-methoxy-1,3-benzothiazol-2-yl)cyclohexyl]methanol
• SMILES: COc1cc2nc(C3CCC(CO)CC3)sc2cc1N
• InChI: InChI=1S/C15H20N2O2S/c1-19-13-7-12-14(6-11(13)16)20-15(17-12)10-4-2-9(8-18)3-5-10/h6-7,9-10,18H,2-5,8,16H2,1H3
• InChIKey: JXZDTGSCGJWXTI-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 68.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	292.40
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(6-amino-5-methoxy-1,3-benzothiazol-2-yl)cyclohexyl]methanol?

The IUPAC name of [4-(6-amino-5-methoxy-1,3-benzothiazol-2-yl)cyclohexyl]methanol (CID 164566999) is [4-(6-amino-5-methoxy-1,3-benzothiazol-2-yl)cyclohexyl]methanol.

What is the SMILES notation for [4-(6-amino-5-methoxy-1,3-benzothiazol-2-yl)cyclohexyl]methanol?

The canonical SMILES for [4-(6-amino-5-methoxy-1,3-benzothiazol-2-yl)cyclohexyl]methanol is COc1cc2nc(C3CCC(CO)CC3)sc2cc1N.

What is the InChIKey of [4-(6-amino-5-methoxy-1,3-benzothiazol-2-yl)cyclohexyl]methanol?

The InChIKey is JXZDTGSCGJWXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-19-13-7-12-14(6-11(13)16)20-15(17-12)10-4-2-9(8-18)3-5-10/h6-7,9-10,18H,2-5,8,16H2,1H3.

What are the key properties of [4-(6-amino-5-methoxy-1,3-benzothiazol-2-yl)cyclohexyl]methanol?

[4-(6-amino-5-methoxy-1,3-benzothiazol-2-yl)cyclohexyl]methanol has a molecular weight of 292.40 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(6-amino-5-methoxy-1,3-benzothiazol-2-yl)cyclohexyl]methanol is sourced from PubChem (CID 164566999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 164566999 — identifiers, structure, computed properties (public domain)

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