6-(6-propan-2-yloxy-3-pyridinyl)-1,3-benzothiazol-2-amine

C15H15N3OS — CID 122184469

IUPAC6-(6-propan-2-yloxy-3-pyridinyl)-1,3-benzothiazol-2-amine
SMILESCC(C)Oc1ccc(-c2ccc3nc(N)sc3c2)cn1
InChIInChI=1S/C15H15N3OS/c1-9(2)19-14-6-4-11(8-17-14)10-3-5-12-13(7-10)20-15(16)18-12/h3-9H,1-2H3,(H2,16,18)
InChIKeyZKYMSGAMJJDBDF-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.73
Rot. Bonds3

About 6-(6-propan-2-yloxy-3-pyridinyl)-1,3-benzothiazol-2-amine

6-(6-propan-2-yloxy-3-pyridinyl)-1,3-benzothiazol-2-amine (PubChem CID 122184469) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 6-(6-propan-2-yloxy-3-pyridinyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(6-propan-2-yloxy-3-pyridinyl)-1,3-benzothiazol-2-amine
PubChem CID122184469
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name6-(6-propan-2-yloxy-3-pyridinyl)-1,3-benzothiazol-2-amine
SMILESCC(C)Oc1ccc(-c2ccc3nc(N)sc3c2)cn1
InChIInChI=1S/C15H15N3OS/c1-9(2)19-14-6-4-11(8-17-14)10-3-5-12-13(7-10)20-15(16)18-12/h3-9H,1-2H3,(H2,16,18)
InChIKeyZKYMSGAMJJDBDF-UHFFFAOYSA-N
XLogP3.73
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(6-propan-2-yloxy-3-pyridinyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(6-propan-2-yloxy-3-pyridinyl)-1,3-benzothiazol-2-amine (CID 122184469) is 6-(6-propan-2-yloxy-3-pyridinyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(6-propan-2-yloxy-3-pyridinyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(6-propan-2-yloxy-3-pyridinyl)-1,3-benzothiazol-2-amine is CC(C)Oc1ccc(-c2ccc3nc(N)sc3c2)cn1.
What is the InChIKey of 6-(6-propan-2-yloxy-3-pyridinyl)-1,3-benzothiazol-2-amine?
The InChIKey is ZKYMSGAMJJDBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-9(2)19-14-6-4-11(8-17-14)10-3-5-12-13(7-10)20-15(16)18-12/h3-9H,1-2H3,(H2,16,18).
What are the key properties of 6-(6-propan-2-yloxy-3-pyridinyl)-1,3-benzothiazol-2-amine?
6-(6-propan-2-yloxy-3-pyridinyl)-1,3-benzothiazol-2-amine has a molecular weight of 285.37 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-propan-2-yloxy-3-pyridinyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 122184469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).