2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine

C16H17N3S — CID 63405939

IUPAC2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine
SMILESCc1cc(C)cc(N(C)c2nc3ccc(N)cc3s2)c1
InChIInChI=1S/C16H17N3S/c1-10-6-11(2)8-13(7-10)19(3)16-18-14-5-4-12(17)9-15(14)20-16/h4-9H,17H2,1-3H3
InChIKeyRVSSPWYISGQGFQ-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.26
Rot. Bonds2

About 2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine

2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine (PubChem CID 63405939) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine.

Molecular Properties

Compound Name2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine
PubChem CID63405939
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine
SMILESCc1cc(C)cc(N(C)c2nc3ccc(N)cc3s2)c1
InChIInChI=1S/C16H17N3S/c1-10-6-11(2)8-13(7-10)19(3)16-18-14-5-4-12(17)9-15(14)20-16/h4-9H,17H2,1-3H3
InChIKeyRVSSPWYISGQGFQ-UHFFFAOYSA-N
XLogP4.26
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3,5-dimethylphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine?
The IUPAC name of 2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine (CID 63405939) is 2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine.
What is the SMILES notation for 2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine?
The canonical SMILES for 2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine is Cc1cc(C)cc(N(C)c2nc3ccc(N)cc3s2)c1.
What is the InChIKey of 2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine?
The InChIKey is RVSSPWYISGQGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-10-6-11(2)8-13(7-10)19(3)16-18-14-5-4-12(17)9-15(14)20-16/h4-9H,17H2,1-3H3.
What are the key properties of 2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine?
2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine has a molecular weight of 283.40 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine is sourced from PubChem (CID 63405939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).