N-(3,4-dimethoxyphenyl)-6-methyl-1,3-benzothiazol-2-amine

C16H16N2O2S — CID 79128816

IUPACN-(3,4-dimethoxyphenyl)-6-methyl-1,3-benzothiazol-2-amine
SMILESCOc1ccc(Nc2nc3ccc(C)cc3s2)cc1OC
InChIInChI=1S/C16H16N2O2S/c1-10-4-6-12-15(8-10)21-16(18-12)17-11-5-7-13(19-2)14(9-11)20-3/h4-9H,1-3H3,(H,17,18)
InChIKeyGJAQVJKUVWZVRO-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.37
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)-6-methyl-1,3-benzothiazol-2-amine

N-(3,4-dimethoxyphenyl)-6-methyl-1,3-benzothiazol-2-amine (PubChem CID 79128816) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-6-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-6-methyl-1,3-benzothiazol-2-amine
PubChem CID79128816
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-(3,4-dimethoxyphenyl)-6-methyl-1,3-benzothiazol-2-amine
SMILESCOc1ccc(Nc2nc3ccc(C)cc3s2)cc1OC
InChIInChI=1S/C16H16N2O2S/c1-10-4-6-12-15(8-10)21-16(18-12)17-11-5-7-13(19-2)14(9-11)20-3/h4-9H,1-3H3,(H,17,18)
InChIKeyGJAQVJKUVWZVRO-UHFFFAOYSA-N
XLogP4.37
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine
CID 79524842
6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine
CID 12955114
6-methyl-N-(2,3,4-trimethoxyphenyl)-1,3-benzothiazol-2-amine
CID 86577101
N-(4-tert-butylphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79127962
N-(3-fluoro-4-methoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 53414489
2-(3-fluoro-4-methoxyanilino)-1,3-benzothiazol-6-ol
CID 142733980
2-N-(4-bromo-3-methoxyphenyl)-1,3-benzothiazole-2,6-diamine
CID 82857943
7-chloro-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine
CID 43306672
6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine
CID 79142410
4-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzenesulfonamide
CID 79126584
N-(6-chloro-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine
CID 87379371
N-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-amine
CID 78908863

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-6-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-6-methyl-1,3-benzothiazol-2-amine (CID 79128816) is N-(3,4-dimethoxyphenyl)-6-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-6-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-6-methyl-1,3-benzothiazol-2-amine is COc1ccc(Nc2nc3ccc(C)cc3s2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-6-methyl-1,3-benzothiazol-2-amine?
The InChIKey is GJAQVJKUVWZVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-10-4-6-12-15(8-10)21-16(18-12)17-11-5-7-13(19-2)14(9-11)20-3/h4-9H,1-3H3,(H,17,18).
What are the key properties of N-(3,4-dimethoxyphenyl)-6-methyl-1,3-benzothiazol-2-amine?
N-(3,4-dimethoxyphenyl)-6-methyl-1,3-benzothiazol-2-amine has a molecular weight of 300.38 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-6-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79128816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).