2-[2-(dimethylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol

C13H12N4OS — CID 24804066

IUPAC2-[2-(dimethylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol
SMILESCN(C)c1ncc(-c2nc3ccc(O)cc3s2)cn1
InChIInChI=1S/C13H12N4OS/c1-17(2)13-14-6-8(7-15-13)12-16-10-4-3-9(18)5-11(10)19-12/h3-7,18H,1-2H3
InChIKeyBQJMOMWOHFBQHO-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.52
Rot. Bonds2

About 2-[2-(dimethylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol

2-[2-(dimethylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol (PubChem CID 24804066) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[2-(dimethylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol.

Molecular Properties

Compound Name2-[2-(dimethylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol
PubChem CID24804066
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name2-[2-(dimethylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol
SMILESCN(C)c1ncc(-c2nc3ccc(O)cc3s2)cn1
InChIInChI=1S/C13H12N4OS/c1-17(2)13-14-6-8(7-15-13)12-16-10-4-3-9(18)5-11(10)19-12/h3-7,18H,1-2H3
InChIKeyBQJMOMWOHFBQHO-UHFFFAOYSA-N
XLogP2.52
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol?
The IUPAC name of 2-[2-(dimethylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol (CID 24804066) is 2-[2-(dimethylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol.
What is the SMILES notation for 2-[2-(dimethylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol?
The canonical SMILES for 2-[2-(dimethylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol is CN(C)c1ncc(-c2nc3ccc(O)cc3s2)cn1.
What is the InChIKey of 2-[2-(dimethylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol?
The InChIKey is BQJMOMWOHFBQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-17(2)13-14-6-8(7-15-13)12-16-10-4-3-9(18)5-11(10)19-12/h3-7,18H,1-2H3.
What are the key properties of 2-[2-(dimethylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol?
2-[2-(dimethylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol has a molecular weight of 272.33 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)pyrimidin-5-yl]-1,3-benzothiazol-6-ol is sourced from PubChem (CID 24804066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).