6-methoxy-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine

C15H14N2OS2 — CID 53414965

IUPAC6-methoxy-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(Nc3cccc(SC)c3)sc2c1
InChIInChI=1S/C15H14N2OS2/c1-18-11-6-7-13-14(9-11)20-15(17-13)16-10-4-3-5-12(8-10)19-2/h3-9H,1-2H3,(H,16,17)
InChIKeyJEXVWNFHQPVVQB-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.77
Rot. Bonds4

About 6-methoxy-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine

6-methoxy-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine (PubChem CID 53414965) has the molecular formula C15H14N2OS2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 6-methoxy-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methoxy-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
PubChem CID53414965
Molecular FormulaC15H14N2OS2
Molecular Weight302.42 g/mol
Exact Mass302.05
IUPAC Name6-methoxy-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(Nc3cccc(SC)c3)sc2c1
InChIInChI=1S/C15H14N2OS2/c1-18-11-6-7-13-14(9-11)20-15(17-13)16-10-4-3-5-12(8-10)19-2/h3-9H,1-2H3,(H,16,17)
InChIKeyJEXVWNFHQPVVQB-UHFFFAOYSA-N
XLogP4.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
CID 79534156
N-(3-ethoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 53414475
N-(3-methylphenyl)-6-methylsulfanyl-1,3-benzothiazol-2-amine
CID 7489935
N-(2,6-dibromophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107601400
5-methoxy-N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7489943
N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 53414489
N-(3,5-dichloro-4-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107575961
4-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148258
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-benzothiazol-5-amine
CID 43968479
6-fluoro-N-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7086355
N-(3-chloro-5-fluorophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 107368348
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7105763

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methoxy-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine (CID 53414965) is 6-methoxy-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methoxy-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methoxy-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine is COc1ccc2nc(Nc3cccc(SC)c3)sc2c1.
What is the InChIKey of 6-methoxy-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine?
The InChIKey is JEXVWNFHQPVVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS2/c1-18-11-6-7-13-14(9-11)20-15(17-13)16-10-4-3-5-12(8-10)19-2/h3-9H,1-2H3,(H,16,17).
What are the key properties of 6-methoxy-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine?
6-methoxy-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine has a molecular weight of 302.42 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 53414965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).