2-N-(3-methoxyphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine

C15H15N3OS — CID 63231344

IUPAC2-N-(3-methoxyphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine
SMILESCOc1cccc(N(C)c2nc3ccc(N)cc3s2)c1
InChIInChI=1S/C15H15N3OS/c1-18(11-4-3-5-12(9-11)19-2)15-17-13-7-6-10(16)8-14(13)20-15/h3-9H,16H2,1-2H3
InChIKeyRENRVNQVHFQQJY-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.65
Rot. Bonds3

About 2-N-(3-methoxyphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine

2-N-(3-methoxyphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine (PubChem CID 63231344) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-N-(3-methoxyphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine.

Molecular Properties

Compound Name2-N-(3-methoxyphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine
PubChem CID63231344
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name2-N-(3-methoxyphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine
SMILESCOc1cccc(N(C)c2nc3ccc(N)cc3s2)c1
InChIInChI=1S/C15H15N3OS/c1-18(11-4-3-5-12(9-11)19-2)15-17-13-7-6-10(16)8-14(13)20-15/h3-9H,16H2,1-2H3
InChIKeyRENRVNQVHFQQJY-UHFFFAOYSA-N
XLogP3.65
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methoxyphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine?
The IUPAC name of 2-N-(3-methoxyphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine (CID 63231344) is 2-N-(3-methoxyphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine.
What is the SMILES notation for 2-N-(3-methoxyphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine?
The canonical SMILES for 2-N-(3-methoxyphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine is COc1cccc(N(C)c2nc3ccc(N)cc3s2)c1.
What is the InChIKey of 2-N-(3-methoxyphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine?
The InChIKey is RENRVNQVHFQQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-18(11-4-3-5-12(9-11)19-2)15-17-13-7-6-10(16)8-14(13)20-15/h3-9H,16H2,1-2H3.
What are the key properties of 2-N-(3-methoxyphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine?
2-N-(3-methoxyphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine has a molecular weight of 285.37 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methoxyphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine is sourced from PubChem (CID 63231344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).