4,7-dimethyl-2-(pyridin-3-ylmethylamino)-1,3-benzothiazol-6-ol

C15H15N3OS — CID 10334136

IUPAC4,7-dimethyl-2-(pyridin-3-ylmethylamino)-1,3-benzothiazol-6-ol
SMILESCc1cc(O)c(C)c2sc(NCc3cccnc3)nc12
InChIInChI=1S/C15H15N3OS/c1-9-6-12(19)10(2)14-13(9)18-15(20-14)17-8-11-4-3-5-16-7-11/h3-7,19H,8H2,1-2H3,(H,17,18)
InChIKeyWNYIJFWJLXADJB-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.63
Rot. Bonds3

About 4,7-dimethyl-2-(pyridin-3-ylmethylamino)-1,3-benzothiazol-6-ol

4,7-dimethyl-2-(pyridin-3-ylmethylamino)-1,3-benzothiazol-6-ol (PubChem CID 10334136) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 4,7-dimethyl-2-(pyridin-3-ylmethylamino)-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name4,7-dimethyl-2-(pyridin-3-ylmethylamino)-1,3-benzothiazol-6-ol
PubChem CID10334136
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name4,7-dimethyl-2-(pyridin-3-ylmethylamino)-1,3-benzothiazol-6-ol
SMILESCc1cc(O)c(C)c2sc(NCc3cccnc3)nc12
InChIInChI=1S/C15H15N3OS/c1-9-6-12(19)10(2)14-13(9)18-15(20-14)17-8-11-4-3-5-16-7-11/h3-7,19H,8H2,1-2H3,(H,17,18)
InChIKeyWNYIJFWJLXADJB-UHFFFAOYSA-N
XLogP3.63
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-2-(pyridin-3-ylmethylamino)-1,3-benzothiazol-6-ol?
The IUPAC name of 4,7-dimethyl-2-(pyridin-3-ylmethylamino)-1,3-benzothiazol-6-ol (CID 10334136) is 4,7-dimethyl-2-(pyridin-3-ylmethylamino)-1,3-benzothiazol-6-ol.
What is the SMILES notation for 4,7-dimethyl-2-(pyridin-3-ylmethylamino)-1,3-benzothiazol-6-ol?
The canonical SMILES for 4,7-dimethyl-2-(pyridin-3-ylmethylamino)-1,3-benzothiazol-6-ol is Cc1cc(O)c(C)c2sc(NCc3cccnc3)nc12.
What is the InChIKey of 4,7-dimethyl-2-(pyridin-3-ylmethylamino)-1,3-benzothiazol-6-ol?
The InChIKey is WNYIJFWJLXADJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-9-6-12(19)10(2)14-13(9)18-15(20-14)17-8-11-4-3-5-16-7-11/h3-7,19H,8H2,1-2H3,(H,17,18).
What are the key properties of 4,7-dimethyl-2-(pyridin-3-ylmethylamino)-1,3-benzothiazol-6-ol?
4,7-dimethyl-2-(pyridin-3-ylmethylamino)-1,3-benzothiazol-6-ol has a molecular weight of 285.37 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-2-(pyridin-3-ylmethylamino)-1,3-benzothiazol-6-ol is sourced from PubChem (CID 10334136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).