4-methoxy-7-(2-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-amine

C12H11N3OS2 — CID 22283149

IUPAC4-methoxy-7-(2-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc(-c2csc(C)n2)c2sc(N)nc12
InChIInChI=1S/C12H11N3OS2/c1-6-14-8(5-17-6)7-3-4-9(16-2)10-11(7)18-12(13)15-10/h3-5H,1-2H3,(H2,13,15)
InChIKeySPTPLBUAJSUMHE-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.32
Rot. Bonds2

About 4-methoxy-7-(2-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-amine

4-methoxy-7-(2-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-amine (PubChem CID 22283149) has the molecular formula C12H11N3OS2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-methoxy-7-(2-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-methoxy-7-(2-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-amine
PubChem CID22283149
Molecular FormulaC12H11N3OS2
Molecular Weight277.37 g/mol
Exact Mass277.03
IUPAC Name4-methoxy-7-(2-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc(-c2csc(C)n2)c2sc(N)nc12
InChIInChI=1S/C12H11N3OS2/c1-6-14-8(5-17-6)7-3-4-9(16-2)10-11(7)18-12(13)15-10/h3-5H,1-2H3,(H2,13,15)
InChIKeySPTPLBUAJSUMHE-UHFFFAOYSA-N
XLogP3.32
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-7-thiophen-3-yl-1,3-benzothiazol-2-amine
CID 87471602
4-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-thiazole
CID 82129096
sodium;4,7-dimethoxy-1,3-benzothiazol-2-amine;thiocyanate
CID 157421038
4-methoxy-7-N-methyl-1,3-benzothiazole-2,7-diamine
CID 22736978
4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazole
CID 82129098
N-[4-methoxy-7-(2-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 87471769
3-methyl-4-(2-methyl-1,3-thiazol-4-yl)aniline
CID 130933181
[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]hydrazine
CID 15335263
2-amino-7-methoxy-1,3-benzothiazole-4-carboxylic acid
CID 84689044
4-(3-ethyl-4-methoxyphenyl)-2-methyl-1,3-thiazole
CID 116967837
2-ethyl-4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazole
CID 116970066
4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 675262

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-(2-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 4-methoxy-7-(2-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-amine (CID 22283149) is 4-methoxy-7-(2-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-methoxy-7-(2-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-methoxy-7-(2-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-amine is COc1ccc(-c2csc(C)n2)c2sc(N)nc12.
What is the InChIKey of 4-methoxy-7-(2-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-amine?
The InChIKey is SPTPLBUAJSUMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS2/c1-6-14-8(5-17-6)7-3-4-9(16-2)10-11(7)18-12(13)15-10/h3-5H,1-2H3,(H2,13,15).
What are the key properties of 4-methoxy-7-(2-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-amine?
4-methoxy-7-(2-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-amine has a molecular weight of 277.37 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-(2-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 22283149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).