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

C15H20N2O2S — CID 164566999

IUPAC[4-(6-amino-5-methoxy-1,3-benzothiazol-2-yl)cyclohexyl]methanol
SMILESCOc1cc2nc(C3CCC(CO)CC3)sc2cc1N
InChIInChI=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
InChIKeyJXZDTGSCGJWXTI-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.15
Rot. Bonds3

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 CID164566999
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name[4-(6-amino-5-methoxy-1,3-benzothiazol-2-yl)cyclohexyl]methanol
SMILESCOc1cc2nc(C3CCC(CO)CC3)sc2cc1N
InChIInChI=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
InChIKeyJXZDTGSCGJWXTI-UHFFFAOYSA-N
XLogP3.15
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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).