5-methoxy-N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine

C15H14N2O2S — CID 7489943

IUPAC5-methoxy-N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine
SMILESCOc1cccc(Nc2nc3cc(OC)ccc3s2)c1
InChIInChI=1S/C15H14N2O2S/c1-18-11-5-3-4-10(8-11)16-15-17-13-9-12(19-2)6-7-14(13)20-15/h3-9H,1-2H3,(H,16,17)
InChIKeyQNERGWIUUXSAFU-UHFFFAOYSA-N
MW286.36 g/mol
LogP4.06
Rot. Bonds4

About 5-methoxy-N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine

5-methoxy-N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine (PubChem CID 7489943) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 5-methoxy-N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-methoxy-N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine
PubChem CID7489943
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name5-methoxy-N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine
SMILESCOc1cccc(Nc2nc3cc(OC)ccc3s2)c1
InChIInChI=1S/C15H14N2O2S/c1-18-11-5-3-4-10(8-11)16-15-17-13-9-12(19-2)6-7-14(13)20-15/h3-9H,1-2H3,(H,16,17)
InChIKeyQNERGWIUUXSAFU-UHFFFAOYSA-N
XLogP4.06
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 53414475
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-benzothiazol-5-amine
CID 43968479
N-(2,3-dichlorophenyl)-5-methoxy-1,3-benzothiazol-2-amine
CID 7513168
6-methoxy-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
CID 53414965
5-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7513043
N-benzyl-5-methoxy-1,3-benzothiazol-2-amine
CID 7208982
N-(2,6-dibromophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107601400
N-(3-bromo-5-methoxyphenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 82860896
5-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7513050
5-methoxy-N-prop-2-ynyl-1,3-benzothiazol-2-amine
CID 45077219
6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7086355
methyl 2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916420

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-methoxy-N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine (CID 7489943) is 5-methoxy-N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-methoxy-N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-methoxy-N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine is COc1cccc(Nc2nc3cc(OC)ccc3s2)c1.
What is the InChIKey of 5-methoxy-N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine?
The InChIKey is QNERGWIUUXSAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-18-11-5-3-4-10(8-11)16-15-17-13-9-12(19-2)6-7-14(13)20-15/h3-9H,1-2H3,(H,16,17).
What are the key properties of 5-methoxy-N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine?
5-methoxy-N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine has a molecular weight of 286.36 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 7489943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).