6-[(2-amino-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine

C19H22N4OS — CID 135157043

IUPAC6-[(2-amino-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine
SMILESNc1cc(COc2ccc3nc(NC4CCCCC4)sc3c2)ccn1
InChIInChI=1S/C19H22N4OS/c20-18-10-13(8-9-21-18)12-24-15-6-7-16-17(11-15)25-19(23-16)22-14-4-2-1-3-5-14/h6-11,14H,1-5,12H2,(H2,20,21)(H,22,23)
InChIKeyBATXRTAHHWFDOX-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.60
Rot. Bonds5

About 6-[(2-amino-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine

6-[(2-amino-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine (PubChem CID 135157043) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 6-[(2-amino-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[(2-amino-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine
PubChem CID135157043
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name6-[(2-amino-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine
SMILESNc1cc(COc2ccc3nc(NC4CCCCC4)sc3c2)ccn1
InChIInChI=1S/C19H22N4OS/c20-18-10-13(8-9-21-18)12-24-15-6-7-16-17(11-15)25-19(23-16)22-14-4-2-1-3-5-14/h6-11,14H,1-5,12H2,(H2,20,21)(H,22,23)
InChIKeyBATXRTAHHWFDOX-UHFFFAOYSA-N
XLogP4.60
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[(2-amino-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine (CID 135157043) is 6-[(2-amino-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[(2-amino-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[(2-amino-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine is Nc1cc(COc2ccc3nc(NC4CCCCC4)sc3c2)ccn1.
What is the InChIKey of 6-[(2-amino-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine?
The InChIKey is BATXRTAHHWFDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c20-18-10-13(8-9-21-18)12-24-15-6-7-16-17(11-15)25-19(23-16)22-14-4-2-1-3-5-14/h6-11,14H,1-5,12H2,(H2,20,21)(H,22,23).
What are the key properties of 6-[(2-amino-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine?
6-[(2-amino-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine has a molecular weight of 354.48 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-4-pyridinyl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 135157043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).