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

C12H10N4OS — CID 24804069

IUPAC5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine
SMILESCOc1ccc2nc(-c3cnc(N)nc3)sc2c1
InChIInChI=1S/C12H10N4OS/c1-17-8-2-3-9-10(4-8)18-11(16-9)7-5-14-12(13)15-6-7/h2-6H,1H3,(H2,13,14,15)
InChIKeyWMRZSADPSJRQMR-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.34
Rot. Bonds2

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

5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine (PubChem CID 24804069) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is 5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine
PubChem CID24804069
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC Name5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine
SMILESCOc1ccc2nc(-c3cnc(N)nc3)sc2c1
InChIInChI=1S/C12H10N4OS/c1-17-8-2-3-9-10(4-8)18-11(16-9)7-5-14-12(13)15-6-7/h2-6H,1H3,(H2,13,14,15)
InChIKeyWMRZSADPSJRQMR-UHFFFAOYSA-N
XLogP2.34
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpyrimidin-2-amine
CID 24804067
2,6-dichloro-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 82830716
2-(4-tert-butylphenyl)-6-methoxy-1,3-benzothiazole
CID 101474681
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
6-methoxy-2-(3-methylphenyl)-1,3-benzothiazole
CID 25232186
6-methoxy-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 11255311
2-iodo-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline;4-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 160555222
N-ethyl-5-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]pyridin-2-amine
CID 146253209
CID 158604119
CID 158604119
6-methoxy-2-[4-[10-[4-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3-benzothiazole
CID 22960185
5-(6-methoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine
CID 79511841

Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine (CID 24804069) is 5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine is COc1ccc2nc(-c3cnc(N)nc3)sc2c1.
What is the InChIKey of 5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine?
The InChIKey is WMRZSADPSJRQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c1-17-8-2-3-9-10(4-8)18-11(16-9)7-5-14-12(13)15-6-7/h2-6H,1H3,(H2,13,14,15).
What are the key properties of 5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine?
5-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidin-2-amine has a molecular weight of 258.31 g/mol, XLogP of 2.34, 2 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)pyrimidin-2-amine is sourced from PubChem (CID 24804069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).