5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine

C13H12N4OS — CID 24804067

IUPAC5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(-c2nc3ccc(OC)cc3s2)cn1
InChIInChI=1S/C13H12N4OS/c1-14-13-15-6-8(7-16-13)12-17-10-4-3-9(18-2)5-11(10)19-12/h3-7H,1-2H3,(H,14,15,16)
InChIKeyZQNBIVGURWFZJD-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.80
Rot. Bonds3

About 5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine

5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine (PubChem CID 24804067) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine
PubChem CID24804067
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(-c2nc3ccc(OC)cc3s2)cn1
InChIInChI=1S/C13H12N4OS/c1-14-13-15-6-8(7-16-13)12-17-10-4-3-9(18-2)5-11(10)19-12/h3-7H,1-2H3,(H,14,15,16)
InChIKeyZQNBIVGURWFZJD-UHFFFAOYSA-N
XLogP2.80
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine
CID 24804069
2-(4-tert-butylphenyl)-6-methoxy-1,3-benzothiazole
CID 101474681
N-ethyl-5-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]pyridin-2-amine
CID 146253209
2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole
CID 146253203
[[5-(6-methoxy-1,3-benzothiazol-2-yl)-2-pyridinyl]-[tris(sulfanyl)methyl]amino]methanetrithiol
CID 143516895
5-(4-methoxyphenyl)-N-methylpyrimidin-2-amine
CID 116976946
6-methoxy-2-(3-methylphenyl)-1,3-benzothiazole
CID 25232186
6-methoxy-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 11255311
6-methoxy-2-[4-[10-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3-benzothiazole
CID 22960185
2,6-dichloro-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 82830716
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 46845966
N-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]formamide
CID 57381913

Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine (CID 24804067) is 5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine is CNc1ncc(-c2nc3ccc(OC)cc3s2)cn1.
What is the InChIKey of 5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine?
The InChIKey is ZQNBIVGURWFZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-14-13-15-6-8(7-16-13)12-17-10-4-3-9(18-2)5-11(10)19-12/h3-7H,1-2H3,(H,14,15,16).
What are the key properties of 5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine?
5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine has a molecular weight of 272.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 24804067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).